Chapter 19. Discrete Phase Models

1 downloads 0 Views 673KB Size Report
... for the Discrete Phase c Fluent Inc. December 3, 2001. 19-1 ... sian probability density function (PDF) about the mean trajectory. In both models, the particles ... ticles based on absolute velocity may result in incorrect particle- wall interaction.
Chapter 19.

Discrete Phase Models

This chapter describes the Lagrangian discrete phase capabilities available in FLUENT and how to use them. Information is organized into the following sections: • Section 19.1: Overview and Limitations of the Discrete Phase Models • Section 19.2: Trajectory Calculations • Section 19.3: Heat and Mass Transfer Calculations • Section 19.4: Spray Models • Section 19.5: Coupling Between the Discrete and Continuous Phases • Section 19.6: Overview of Using the Discrete Phase Models • Section 19.7: Discrete Phase Model Options • Section 19.8: Unsteady Particle Tracking • Section 19.9: Setting Initial Conditions for the Discrete Phase • Section 19.10: Setting Boundary Conditions for the Discrete Phase • Section 19.11: Setting Material Properties for the Discrete Phase • Section 19.12: Calculation Procedures for the Discrete Phase • Section 19.13: Postprocessing for the Discrete Phase

c Fluent Inc. December 3, 2001

19-1

Discrete Phase Models

19.1 19.1.1

Overview and Limitations of the Discrete Phase Models Introduction

In addition to solving transport equations for the continuous phase, FLUENT allows you to simulate a discrete second phase in a Lagrangian frame of reference. This second phase consists of spherical particles (which may be taken to represent droplets or bubbles) dispersed in the continuous phase. FLUENT computes the trajectories of these discrete phase entities, as well as heat and mass transfer to/from them. The coupling between the phases and its impact on both the discrete phase trajectories and the continuous phase flow can be included. FLUENT provides the following discrete phase modeling options: • Calculation of the discrete phase trajectory using a Lagrangian formulation that includes the discrete phase inertia, hydrodynamic drag, and the force of gravity, for both steady and unsteady flows • Prediction of the effects of turbulence on the dispersion of particles due to turbulent eddies present in the continuous phase • Heating/cooling of the discrete phase • Vaporization and boiling of liquid droplets • Combusting particles, including volatile evolution and char combustion to simulate coal combustion • Optional coupling of the continuous phase flow field prediction to the discrete phase calculations • Droplet breakup and coalescence These modeling capabilities allow FLUENT to simulate a wide range of discrete phase problems including particle separation and classification, spray drying, aerosol dispersion, bubble stirring of liquids, liquid fuel combustion, and coal combustion. The physical equations used for these discrete phase calculations are described in Sections 19.2–19.5, and

19-2

c Fluent Inc. December 3, 2001

19.1 Overview and Limitations of the Discrete Phase Models

instructions for setup, solution, and postprocessing are provided in Sections 19.6–19.13. 19.1.2

Particles in Turbulent Flows

The dispersion of particles due to turbulence in the fluid phase can be predicted using the stochastic tracking model or the particle cloud model (see Section 19.2.2). The stochastic tracking (random walk) model includes the effect of instantaneous turbulent velocity fluctuations on the particle trajectories through the use of stochastic methods (see Section 19.2.2). The particle cloud model tracks the statistical evolution of a cloud of particles about a mean trajectory (see Section 19.2.2). The concentration of particles within the cloud is represented by a Gaussian probability density function (PDF) about the mean trajectory. In both models, the particles have no direct impact on the generation or dissipation of turbulence in the continuous phase. 19.1.3

Limitations

Limitation on the Particle Volume Fraction The discrete phase formulation used by FLUENT contains the assumption that the second phase is sufficiently dilute that particle-particle interactions and the effects of the particle volume fraction on the gas phase are negligible. In practice, these issues imply that the discrete phase must be present at a fairly low volume fraction, usually less than 10–12%. Note that the mass loading of the discrete phase may greatly exceed 10–12%: you may solve problems in which the mass flow of the discrete phase equals or exceeds that of the continuous phase. See Chapters 18 and 20 for information about when you might want to use one of the general multiphase models instead of the discrete phase model. Limitation on Modeling Continuous Suspensions of Particles The steady-particle Lagrangian discrete phase model described in this chapter is suited for flows in which particle streams are injected into a continuous phase flow with a well-defined entrance and exit condition.

c Fluent Inc. December 3, 2001

19-3

Discrete Phase Models

The Lagrangian model does not effectively model flows in which particles are suspended indefinitely in the continuum, as occurs in solid suspensions within closed systems such as stirred tanks, mixing vessels, or fluidized beds. The unsteady-particle discrete phase model, however, is capable of modeling continuous suspensions of particles. See Chapters 18 and 20 for information about when you might want to use one of the general multiphase models instead of the discrete phase models. Limitations on Using the Discrete Phase Model with Other FLUENT Models The following restrictions exist on the use of other models with the discrete phase model: • Streamwise periodic flow (either specified mass flow rate or specified pressure drop) cannot be modeled when the discrete phase model is used. • Adaptive time stepping cannot be used with the discrete phase model. • Only non-reacting particles can be included when the premixed combustion model is used. • When multiple reference frames are used in conjunction with the discrete phase model, the display of particle tracks will not, by default, be meaningful. Similarly, coupled discrete-phase calculations are not meaningful. An alternative approach for particle tracking and coupled discretephase calculations with multiple reference frames is to track particles based on absolute velocity instead of relative velocity. To make this change, use the define/models/dpm/tracking/track-inabsolute-frame text command. Note, however, that tracking particles based on absolute velocity may result in incorrect particlewall interaction. The particle injection velocities (specified in the Set Injection Properties panel) are defined relative to the frame of reference in which the particles are tracked. By default, the injection velocities are 19-4

c Fluent Inc. December 3, 2001

19.1 Overview and Limitations of the Discrete Phase Models

specified relative to the local reference frame. If you enable the track-in-absolute-frame option, the injection velocities are specified relative to the absolute frame. 19.1.4

Overview of Discrete Phase Modeling Procedures

You can include a discrete phase in your FLUENT model by defining the initial position, velocity, size, and temperature of individual particles. These initial conditions, along with your inputs defining the physical properties of the discrete phase, are used to initiate trajectory and heat/mass transfer calculations. The trajectory and heat/mass transfer calculations are based on the force balance on the particle and on the convective/radiative heat and mass transfer from the particle, using the local continuous phase conditions as the particle moves through the flow. The predicted trajectories and the associated heat and mass transfer can be viewed graphically and/or alphanumerically. You can use FLUENT to predict the discrete phase patterns based on a fixed continuous phase flow field (an uncoupled approach), or you can include the effect of the discrete phase on the continuum (a coupled approach). In the coupled approach, the continuous phase flow pattern is impacted by the discrete phase (and vice versa), and you can alternate calculations of the continuous phase and discrete phase equations until a converged coupled solution is achieved. See Section 19.5 for details. Outline of Steady-State Problem Setup and Solution Procedure The general procedure for setting up and solving a steady-state discretephase problem is outlined below: 1. Solve the continuous-phase flow. 2. Create the discrete-phase injections. 3. Solve the coupled flow, if desired. 4. Track the discrete-phase injections, using plots or reports.

c Fluent Inc. December 3, 2001

19-5

Discrete Phase Models

Outline of Unsteady Problem Setup and Solution Procedure The general procedure for setting up and solving an unsteady discretephase problem is outlined below: 1. Create the discrete-phase injections. 2. Initialize the flow field. 3. Advance the solution in time by taking the desired number of time steps. Particle positions will be updated as the solution advances in time. If you are solving an uncoupled flow, the particle position will be updated at the end of each time step. For a coupled calculation, the positions are iterated on within each time step.

19.2 19.2.1

Trajectory Calculations Equations of Motion for Particles

Particle Force Balance FLUENT predicts the trajectory of a discrete phase particle (or droplet or bubble) by integrating the force balance on the particle, which is written in a Lagrangian reference frame. This force balance equates the particle inertia with the forces acting on the particle, and can be written (for the x direction in Cartesian coordinates) as dup gx (ρp − ρ) + Fx = FD (u − up ) + dt ρp

(19.2-1)

where FD (u − up ) is the drag force per unit particle mass and FD =

18µ CD Re ρp d2p 24

(19.2-2)

Here, u is the fluid phase velocity, up is the particle velocity, µ is the molecular viscosity of the fluid, ρ is the fluid density, ρp is the density of

19-6

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

the particle, and dp is the particle diameter. Re is the relative Reynolds number, which is defined as Re ≡

ρdp |up − u| µ

(19.2-3)

The drag coefficient, CD , can be taken from either CD = a1 +

a2 a3 + Re Re2

(19.2-4)

where a1 , a2 , and a3 are constants that apply for smooth spherical particles over several ranges of Re given by Morsi and Alexander [163], or CD =

 24  b3 Re 1 + b1 Reb2 + Re b4 + Re

(19.2-5)

where b1 = exp(2.3288 − 6.4581φ + 2.4486φ2 ) b2 = 0.0964 + 0.5565φ b3 = exp(4.905 − 13.8944φ + 18.4222φ2 − 10.2599φ3 ) b4 = exp(1.4681 + 12.2584φ − 20.7322φ2 + 15.8855φ3 )(19.2-6) which is taken from Haider and Levenspiel [85]. The shape factor, φ, is defined as s φ= (19.2-7) S where s is the surface area of a sphere having the same volume as the particle, and S is the actual surface area of the particle. For sub-micron particles, a form of Stokes’ drag law is available [170]. In this case, FD is defined as FD =

c Fluent Inc. December 3, 2001

18µ dp 2 ρp Cc

(19.2-8)

19-7

Discrete Phase Models

The factor Cc is the Cunningham correction to Stokes’ drag law, which you can compute from Cc = 1 +

2λ (1.257 + 0.4e−(1.1dp /2λ) ) dp

(19.2-9)

where λ is the molecular mean free path. A high-Mach-number drag law is also available. This drag law is similar to the spherical law (Equation 19.2-4) with corrections [38] to account for a particle Mach number greater than 0.4 or a particle Reynolds number greater than 20. For unsteady models involving discrete phase droplet breakup, a dynamic drag law option is also available. See Section 19.4.4 for a description of this law. Instructions for selecting the drag law are provided in Section 19.7.7. Including the Gravity Term While Equation 19.2-1 includes a force of gravity on the particle, it is important to note that in FLUENT the default gravitational acceleration is zero. If you want to include the gravity force, you must remember to define the magnitude and direction of the gravity vector in the Operating Conditions panel. Other Forces Equation 19.2-1 incorporates additional forces (Fx ) in the particle force balance that can be important under special circumstances. The first of these is the “virtual mass” force, the force required to accelerate the fluid surrounding the particle. This force can be written as Fx =

1 ρ d (u − up ) 2 ρp dt

(19.2-10)

and is important when ρ > ρp . An additional force arises due to the pressure gradient in the fluid:

19-8

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

Fx =

ρ ρp

!

up

∂u ∂x

(19.2-11)

Forces in Rotating Reference Frames The additional force term, Fx , in Equation 19.2-1 also includes forces on particles that arise due to rotation of the reference frame. These forces arise when you are modeling flows in rotating frames of reference (see Section 9.2). For rotation defined about the z axis, for example, the forces on the particles in the Cartesian x and y directions can be written as ρ 1− ρp

!

ρ Ω x + 2Ω uy,p − uy ρp

!

2

(19.2-12)

where uy,p and uy are the particle and fluid velocities in the Cartesian y direction, and ρ 1− ρp

!

ρ Ω y − 2Ω ux,p − ux ρp 2

!

(19.2-13)

where ux,p and ux are the particle and fluid velocities in the Cartesian x direction. Thermophoretic Force Small particles suspended in a gas that has a temperature gradient experience a force in the direction opposite to that of the gradient. This phenomenon is known as thermophoresis. FLUENT can optionally include a thermophoretic force on particles in the additional force term, Fx , in Equation 19.2-1: Fx = −DT,p

c Fluent Inc. December 3, 2001

1 ∂T mp T ∂x

(19.2-14)

19-9

Discrete Phase Models

where DT,p is the thermophoretic coefficient. You can define the coefficient to be constant, polynomial, or a user-defined function, or you can use the form suggested by Talbot [237]: Fx = − where:

6πdp µ2 Cs (K + Ct Kn) 1 ∂T ρ(1 + 3Cm Kn)(1 + 2K + 2Ct Kn) mp T ∂x

Kn λ K k

= = = =

kp CS Ct Cm mp T µ

= = = = = = =

(19.2-15)

Knudsen number = 2 λ/dp mean free path of the fluid k/kp fluid thermal conductivity based on translational energy only = (15/4) µR particle thermal conductivity 1.17 2.18 1.14 particle mass local fluid temperature fluid viscosity

This expression assumes that the particle is a sphere and that the fluid is an ideal gas. Brownian Force For sub-micron particles, the effects of Brownian motion can optionally be included in the additional force term. The components of the Brownian force are modeled as a Gaussian white noise process with spectral intensity Sn,ij given by [135] Sn,ij = S0 δij

(19.2-16)

where δij is the Kronecker delta function, and S0 =

216νσT π 2 ρd5p

19-10



 ρp 2 Cc ρ

(19.2-17)

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

T is the absolute temperature of the fluid, ν is the kinematic viscosity, and σ is the Stefan-Boltzmann constant. Amplitudes of the Brownian force components are of the form s

Fbi = ζi

πSo ∆t

(19.2-18)

where ζi are zero-mean, unit-variance-independent Gaussian random numbers. The amplitudes of the Brownian force components are evaluated at each time step. The energy equation must be enabled in order for the Brownian force to take effect. Brownian force is intended only for non-turbulent models. Saffman’s Lift Force The Saffman’s lift force, or lift due to shear, can also be included in the additional force term as an option. The lift force used is from Li and Ahmadi [135] and is a generalization of the expression provided by Saffman [196]: F~ =

2Kν 1/2 ρdij (~v − ~vp ) ρp dp (dlk dkl )1/4

(19.2-19)

where K = 2.594 and dij is the deformation tensor. This form of the lift force is intended for small particle Reynolds numbers. Also, the particle Reynolds number based on the particle-fluid velocity difference must be smaller than the square root of the particle Reynolds number based on the shear field. Since this restriction is valid for submicron particles, it is recommended to use this option only for submicron particles. Stochastic Particle Tracking in Turbulent Flow When the flow is turbulent, FLUENT will predict the trajectories of particles using the mean fluid phase velocity, u, in the trajectory equations (Equation 19.2-1). Optionally, you can include the instantaneous value of the fluctuating gas flow velocity,

c Fluent Inc. December 3, 2001

19-11

Discrete Phase Models

u = u + u0

(19.2-20)

to predict the dispersion of the particles due to turbulence. FLUENT uses a stochastic method (random walk model) to determine the instantaneous gas velocity, as detailed in Section 19.2.2. Particle Cloud Tracking in Turbulent Flow Particle dispersion due to turbulent fluctuations can also be modeled with the particle cloud model [14, 15, 99, 141]. The turbulent dispersion of particles about a mean trajectory is calculated using statistical methods. The concentration of particles about the mean trajectory is represented by a Gaussian probability density function (PDF) whose variance is based on the degree of particle dispersion due to turbulent fluctuations. The mean trajectory is obtained by solving the ensembleaveraged equations of motion for all particles represented by the cloud (see Section 19.2.2). Integration of the Trajectory Equations The trajectory equations, and any auxiliary equations describing heat or mass transfer to/from the particle, are solved by stepwise integration over discrete time steps. Integration in time of Equation 19.2-1 yields the velocity of the particle at each point along the trajectory, with the trajectory itself predicted by dx = up dt

(19.2-21)

Equations similar to 19.2-1 and 19.2-21 are solved in each coordinate direction to predict the trajectories of the discrete phase. Assuming that the term containing the body force remains constant over each small time interval, and linearizing any other forces acting on the particle, the trajectory equation can be rewritten in simplified form as dup 1 = (u − up ) dt τp 19-12

(19.2-22)

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

where τp is the particle relaxation time. FLUENT uses a trapezoidal scheme for integrating Equation 19.2-22: un+1 − unp 1 p ) + ... = (u∗ − un+1 p ∆t τ

(19.2-23)

where n represents the iteration number and

1 n (u + un+1 ) 2 = un + ∆tunp · ∇un

u∗ = un+1

(19.2-24) (19.2-25)

Equations 19.2-21 and 19.2-22 are solved simultaneously to determine the velocity and position of the particle at any given time. For rotating reference frames, the integration is carried out in the rotating frame with the extra terms described above (Equations 19.2-12 and 19.2-13) to account for system rotation. In all cases, care must be taken that the time step used for integration is sufficiently small that the trajectory integration is accurate in time. (See Section 19.12.) Droplet Size Distributions For liquid sprays, a convenient representation of the droplet size distribution is the Rosin-Rammler expression. The complete range of sizes is divided into an adequate number of discrete intervals; each represented by a mean diameter for which trajectory calculations are performed. If the size distribution is of the Rosin-Rammler type, the mass fraction of droplets of diameter greater than d is given by ¯n

Yd = e−(d/d)

(19.2-26)

where d¯ is the size constant and n is the size distribution parameter. Use of the Rosin-Rammler size distribution is detailed in Section 19.9.7.

c Fluent Inc. December 3, 2001

19-13

Discrete Phase Models

Discrete Phase Boundary Conditions When a particle strikes a boundary face, one of several contingencies may arise: • Reflection via an elastic or inelastic collision. • Escape through the boundary. (The particle is lost from the calculation at the point where it impacts the boundary.) • Trap at the wall. Non-volatile material is lost from the calculation at the point of impact with the boundary; volatile material present in the particle or droplet is released to the vapor phase at this point. • Passing through an internal boundary zone, such as radiator or porous jump. You also have the option of implementing a user-defined function to model the particle path. See the separate UDF Manual for information about user-defined functions. These boundary condition options are described in detail in Section 19.10. 19.2.2

Turbulent Dispersion of Particles

Turbulent dispersion of particles can be modeled using either a stochastic discrete-particle approach or a “cloud” representation of a group of particles about a mean trajectory. In addition, these approaches can be combined to model a set of “clouds” about a mean trajectory that includes the effects of turbulent fluctuations in the gas phase velocities.

! Turbulent dispersion of particles cannot be included if the Spalart-Allmaras turbulence model is used. Stochastic Tracking In the stochastic tracking approach, FLUENT predicts the turbulent dispersion of particles by integrating the trajectory equations for individual 0 particles, using the instantaneous fluid velocity, u + u (t), along the particle path during the integration. By computing the trajectory in this 19-14

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

manner for a sufficient number of representative particles (termed the “number of tries”), the random effects of turbulence on the particle dispersion may be accounted for. In FLUENT, the Discrete Random Walk (DRW) model is used. In this model, the fluctuating velocity components are discrete piecewise constant functions of time. Their random value is kept constant over an interval of time given by the characteristic lifetime of the eddies. The DRW model may give non-physical results in strongly inhomogeneous diffusion-dominated flows, where small particles should become uniformly distributed. Instead, the DRW will show a tendency for such particles to concentrate in low-turbulence regions of the flow. The Integral Time Prediction of particle dispersion makes use of the concept of the integral time scale, T , which describes the time spent in turbulent motion along the particle path, ds: Z

T = 0



up 0 (t)up 0 (t + s) up 0 2

ds

(19.2-27)

The integral time is proportional to the particle dispersion rate, as larger values indicate more turbulent motion in the flow. It can be shown that the particle diffusivity is given by ui 0 uj 0 T . For small “tracer” particles that move with the fluid (zero drift velocity), the integral time becomes the fluid Lagrangian integral time, TL . This time scale can be approximated as TL = CL

k 

(19.2-28)

where CL is to be determined and is not well known. By matching the diffusivity of tracer particles, ui 0 uj 0 TL , to the scalar diffusion rate predicted by the turbulence model, νt /σ, one can obtain TL ≈ 0.15

c Fluent Inc. December 3, 2001

k 

(19.2-29)

19-15

Discrete Phase Models

for the k- model and its variants, and TL ≈ 0.30

k 

(19.2-30)

when the Reynolds stress model (RSM) is used [48]. For the k-ω models, substitute ω = /k into Equation 19.2-28. The LES model uses the equivalent LES time scales. The Discrete Random Walk Model In the Discrete Random Walk (DRW) model, or “eddy lifetime” model, the interaction of a particle with a succession of discrete stylized fluid phase turbulent eddies is simulated. Each eddy is characterized by • a Gaussian distributed random velocity fluctuation, u0 , v 0 , and w0 • a time scale, τe The values of u0 , v 0 , and w0 that prevail during the lifetime of the turbulent eddy are sampled by assuming that they obey a Gaussian probability distribution, so that 0

q

u = ζ u0 2

(19.2-31)

where ζ is a normally distributed random number, and the remainder of the right-hand side is the local RMS value of the velocity fluctuations. Since the kinetic energy of turbulence is known at each point in the flow, these values of the RMS fluctuating components can be obtained (assuming isotropy) as q

u0 2 =

q

v0 2 =

q

w0 2 =

q

2k/3

(19.2-32)

for the k- model, the k-ω model, and their variants. When the RSM is used, non-isotropy of the stresses is included in the derivation of the velocity fluctuations: 19-16

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

q

u0 = ζ u0 2

(19.2-33)

v0 = ζ v0 2

(19.2-34)

w0 = ζ w0 2

(19.2-35)

q q

when viewed in a reference frame in which the second moment of the turbulence is diagonal [274]. For the LES model, the velocity fluctuations are equivalent in all directions. See Section 10.7.3 for details. The characteristic lifetime of the eddy is defined either as a constant: τe = 2TL

(19.2-36)

where TL is given by Equation 19.2-28 in general (Equation 19.2-29 by default), or as a random variation about TL : τe = −TL log(r)

(19.2-37)

where r is a uniform random number between 0 and 1 and TL is given by Equation 19.2-29. The option of random calculation of τe yields a more realistic description of the correlation function. The particle eddy crossing time is defined as "

tcross = −τ ln 1 −

Le τ |u − up |

!#

(19.2-38)

where τ is the particle relaxation time, Le is the eddy length scale, and |u − up | is the magnitude of the relative velocity. The particle is assumed to interact with the fluid phase eddy over the smaller of the eddy lifetime and the eddy crossing time. When this time is reached, a new value of the instantaneous velocity is obtained by applying a new value of ζ in Equation 19.2-31.

c Fluent Inc. December 3, 2001

19-17

Discrete Phase Models

Using the DRW Model The only inputs required for the DRW model are the value for the integral time-scale constant, CL (see Equations 19.2-28 and 19.2-36) and the choice of the method used for the prediction of the eddy lifetime. You can choose to use either a constant value or a random value by selecting the appropriate option in the Set Injection Properties panel for each injection, as described in Section 19.9.15.

! Turbulent dispersion of particles cannot be included if the Spalart-Allmaras turbulence model is used. Particle Cloud Tracking The particle cloud model is based on the stochastic transport of particles model developed by Litchford and Jeng [141], Baxter and Smith [15], and Jain [99]. The approach uses statistical methods to trace the turbulent dispersion of particles about a mean trajectory. The mean trajectory is calculated from the ensemble average of the equations of motion for the particles represented by the cloud. The cloud enters the domain either as a point source or with an initial diameter. The cloud expands due to turbulent dispersion as it is transported through the domain until it exits. The distribution of particles in the cloud is defined by a probability density function (PDF) based on the position in the cloud relative to the cloud center. The value of the PDF represents the probability of finding particles represented by that cloud with residence time t at location xi in the flow field. The average particle number density can be obtained by weighting the total flow rate of particles represented by that cloud, m, ˙ as hn(xi )i = mP ˙ (xi , t)

(19.2-39)

The PDFs for particle position are assumed to be multivariate Gaussian. These are completely described by their mean, µi , and variance, σi 2 , and are of the form

19-18

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

1

P (xi , t) =

(8π)3/2

3 Y

e−(s

2 /2)

(19.2-40)

σi

i=1

where

s=

3 X xi − µ i i=1

σi

(19.2-41)

The mean of the PDF, or the center of the cloud, at a given time represents the most likely location of the particles in the cloud. The mean location is obtained by integrating a particle velocity as defined by an equation of motion for the cloud of particles: µi (t) ≡ hxi (t)i =

Z

t

0

hVi (t1 )idt1 + hxi (0)i

(19.2-42)

The equations of motion are constructed using an ensemble average. The radius of the particle cloud is based on the variance of the PDF. The variance, σi2 (t), of the PDF can be expressed in terms of two particle turbulence statistical quantities: Z

σi2 (t) = 2

t 0

hu02 p,i (t2 )i

Z

t2 0

Rp,ii (t2 , t1 )dt1 dt2

(19.2-43)

0

2 i are the mean square velocity fluctuations, and R where hup,i p,ij (t2 , t1 ) is the particle velocity correlation function:

hu0p,i (t2 )u0p,j (t1 )i Rp,ij (t2 , t1 ) = h i1/2 02 (t )i hu02 (t )u 2 2 p,i p,j

(19.2-44)

By using the substitution τ = |t2 − t1 |, and the fact that Rp,ij (t2 , t1 ) = Rp,ij (t4 , t3 )

c Fluent Inc. December 3, 2001

(19.2-45)

19-19

Discrete Phase Models

whenever |t2 − t1 | = |t4 − t3 |, we can write Z

σi2 (t) = 2

t 0

hu02 p,i (t2 )i

Z

t2 0

Rp,ii (τ )dτ dt2

(19.2-46)

Note that cross correlations in the definition of the variance (Rp,ij , i 6= j) have been neglected. The form of the particle velocity correlation function used determines the particle dispersion in the cloud model. FLUENT uses a correlation function first proposed by Wang [254], and used by Jain [99]. When the gravity vector is aligned with the z-coordinate direction, Rij takes the form:

Rp,11 = +

u02 p −(τ /τa ) StT e θ

St2 B 2 + 1 B − 0.5mT γ T θ

!

u02 −(τ B/T ) mT St2T γB τ −1 + e + 0.5mT γ θ θ T

!

(19.2-47) Rp,22 = Rp,11 u02 StT B −(τ /τa ) u02 −(τ B/T ) Rp,33 = − e e θ θ

(19.2-48) (19.2-49)

q

1 + m2T γ 2 and τa is the aerodynamic response time of the

where B = particle:

τa =

ρp d2p 18µ

(19.2-50)

and

19-20

T

=

Tf E

=

mT TmE m 3/4 3/2 Cµ k ( 23 k)1/2

(19.2-51) (19.2-52)

c Fluent Inc. December 3, 2001

19.2 Trajectory Calculations

γ = St = StT

=

θ = m = TmE

=

mT

=

G(m) =

τa g u0 τa TmE τa T St2T (1 + m2T γ 2 ) − 1 u ¯ u0 u ¯ Tf E 0 u   G(m) m 1− (1 + St)0.4(1+0.01St) 2 √ π

Z

e−y dy

(19.2-54) (19.2-55) (19.2-56) (19.2-57) (19.2-58) (19.2-59)

2





0

(19.2-53)

1+

m2 π



π erf(y)y − 1 + e−y2

5/2

(19.2-60)

Using this correlation function, the variance is integrated over the life of the cloud. At any given time, the cloud radius is set to three standard deviations in the coordinate directions. The cloud radius is limited to three standard deviations since at least 99.2% of the area under a Gaussian PDF is accounted for at this distance. Once the cells within the cloud are established, the fluid properties are ensemble-averaged for the mean trajectory, and the mean path is integrated in time. This is done with a weighting factor defined as Z

W (xi , t) ≡ Z

Vcell

P (xi , t)dV (19.2-61) P (xi , t)dV

Vcloud

If coupled calculations are performed, sources are distributed to the cells in the cloud based on the same weighting factors. Using the Cloud Model The only inputs required for the cloud model are the values of the minimum and maximum cloud diameters. The cloud model is enabled in

c Fluent Inc. December 3, 2001

19-21

Discrete Phase Models

the Set Injection Properties panel for each injection, as described in Section 19.9.15.

! The cloud model is not available for unsteady tracking. 19.2.3

Particle Erosion and Accretion

Particle erosion and accretion rates can be monitored at wall boundaries. The erosion rate is defined as Nparticles

Rerosion =

X

p=1

m ˙ p C(dp )f (α)v b(v) Aface

(19.2-62)

where C(dp ) is a function of particle diameter, α is the impact angle of the particle path with the wall face, f (α) is a function of impact angle, v is the relative particle velocity, and b(v) is a function of relative particle velocity. Default values are C = 1, f = 1, and b = 0. Since C, f , and b are defined as boundary conditions at a wall, rather than properties of a material, the default values are not updated to reflect the material being used. You will need to specify appropriate values at all walls. Values of these functions for sand eroding both carbon steel and aluminum are given by Edwards et al. [60]. Note that the erosion rate as calculated above is displayed as dimensionless (that is, no units are listed) to provide some flexibility. The functions C and f can be defined so that they account for the wall material density, resulting in erosion-rate units of length/time (mm/year, for example). When the default values for C and f are used, the erosion-rate units are mass of material removed/(area-time). Note that the particle erosion and accretion rates can be displayed only when coupled calculations are enabled. The accretion rate is defined as Nparticles

Raccretion =

X

p=1

19-22

m ˙p Aface

(19.2-63)

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

19.3

Heat and Mass Transfer Calculations

Using FLUENT’s discrete phase modeling capability, reacting particles or droplets can be modeled and their impact on the continuous phase can be examined. Several heat and mass transfer relationships, termed “laws”, are available in FLUENT and the physical models employed in these laws are described in this section. 19.3.1

Particle Types in FLUENT

Which laws are to be active depends upon the particle type that you select. In the Set Injection Properties panel you will specify the Particle Type, and FLUENT will use a given set of heat and mass transfer laws for the chosen type. All particle types have pre-defined sequences of physical laws as shown in the table below: Particle Type Inert Droplet Combusting

Description inert/heating or cooling heating/evaporation/boiling heating; evolution of volatiles/swelling; heterogeneous surface reaction

Laws Activated 1, 6 1, 2, 3, 6

1, 4, 5, 6

In addition to the above laws, you can define your own laws using a userdefined function. See the separate UDF Manual for information about user-defined functions. You can also extend combusting particles to include an evaporating/boiling material by selecting Wet Combustion in the Set Injection Properties panel. FLUENT’s physical laws (Laws 1 through 6), which describe the heat and mass transfer conditions listed in this table, are explained in detail in Sections 19.3.2–19.3.6. 19.3.2

Law 1/Law 6: Inert Heating or Cooling

The inert heating or cooling laws (Laws 1 and 6) are applied while the particle temperature is less than the vaporization temperature that you

c Fluent Inc. December 3, 2001

19-23

Discrete Phase Models

define, Tvap , and after the volatile fraction, fv,0 , of a particle has been consumed. These conditions may be written as Law 1: Tp < Tvap

(19.3-1)

mp ≤ (1 − fv,0 )mp,0

(19.3-2)

Law 6:

where Tp is the particle temperature, mp,0 is the initial mass of the particle, and mp is its current mass. Law 1 is applied until the temperature of the particle/droplet reaches the vaporization temperature. At this point a non-inert particle/droplet may proceed to obey one of the mass-transfer laws (2, 3, 4, and/or 5), returning to Law 6 when the volatile portion of the particle/droplet has been consumed. (Note that the vaporization temperature, Tvap , is thus an arbitrary modeling constant used to define the onset of the vaporization/boiling/volatilization laws.) When using Law 1 or Law 6, FLUENT uses a simple heat balance to relate the particle temperature, Tp (t), to the convective heat transfer and the absorption/emission of radiation at the particle surface: mp cp

dTp 4 − Tp4 ) = hAp (T∞ − Tp ) + p Ap σ(θR dt

mp cp Ap T∞ h p σ θR

= = = = = = = =

(19.3-3)

where mass of the particle (kg) heat capacity of the particle (J/kg-K) surface area of the particle (m2 ) local temperature of the continuous phase (K) convective heat transfer coefficient (W/m2 -K) particle emissivity (dimensionless) Stefan-Boltzmann constant (5.67 x 10−8 W/m2 -K4 ) G 1/4 radiation temperature, ( 4σ )

Equation 19.3-3 assumes that there is negligible internal resistance to heat transfer, i.e., the particle is at uniform temperature throughout.

19-24

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

G is the incident radiation in W/m2 : Z

G=

IdΩ

(19.3-4)

Ω=4π

where I is the radiation intensity and Ω is the solid angle. Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. Equation 19.3-3 is integrated in time using an approximate, linearized form that assumes that the particle temperature changes slowly from one time value to the next: mp cp

n h i h io dTp 4 = Ap − h + p σTp3 Tp + hT∞ + p σθR dt

(19.3-5)

As the particle trajectory is computed, FLUENT integrates Equation 19.3-5 to obtain the particle temperature at the next time value, yielding Tp (t + ∆t) = αp + [Tp (t) − αp ]e−βp ∆t

(19.3-6)

where ∆t is the integration time step and 4 hT∞ + p σθR h + p σTp3 (t)

(19.3-7)

Ap (h + p σTp3 (t)) mp cp

(19.3-8)

αp = and

βp =

FLUENT can also solve Equation 19.3-5 in conjunction with the equivalent mass transfer equation using a stiff coupled solver. See Section 19.7.3 for details.

c Fluent Inc. December 3, 2001

19-25

Discrete Phase Models

The heat transfer coefficient, h, is evaluated using the correlation of Ranz and Marshall [185, 186]: Nu =

hdp 1/2 = 2.0 + 0.6Red Pr1/3 k∞

(19.3-9)

where dp k∞ Red

= = =

Pr

=

particle diameter (m) thermal conductivity of the continuous phase (W/m-K) Reynolds number based on the particle diameter and the relative velocity (Equation 19.2-3) Prandtl number of the continuous phase (cp µ/k∞ )

Finally, the heat lost or gained by the particle as it traverses each computational cell appears as a source or sink of heat in subsequent calculations of the continuous phase energy equation. During Laws 1 and 6, particles/droplets do not exchange mass with the continuous phase and do not participate in any chemical reaction. 19.3.3

Law 2: Droplet Vaporization

Law 2 is applied to predict the vaporization from a discrete phase droplet. Law 2 is initiated when the temperature of the droplet reaches the vaporization temperature, Tvap , and continues until the droplet reaches the boiling point, Tbp , or until the droplet’s volatile fraction is completely consumed: Tp < Tbp

(19.3-10)

mp > (1 − fv,0 )mp,0

(19.3-11)

The onset of the vaporization law is determined by the setting of Tvap , a temperature that has no other physical significance. Note that once vaporization is initiated (by the droplet reaching this threshold temperature), it will continue even if the droplet temperature falls below Tvap .

19-26

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

Vaporization will be halted only if the droplet temperature falls below the dew point. In such cases, the droplet will remain in Law 2 but no evaporation will be predicted. When the boiling point is reached, the droplet vaporization is predicted by a boiling rate, Law 3, as described in Section 19.3.4. Mass Transfer During Law 2 During Law 2, the rate of vaporization is governed by gradient diffusion, with the flux of droplet vapor into the gas phase related to the gradient of the vapor concentration between the droplet surface and the bulk gas: Ni = kc (Ci,s − Ci,∞ )

(19.3-12)

where Ni kc Ci,s Ci,∞

= = = =

molar flux of vapor (kgmol/m2 -s) mass transfer coefficient (m/s) vapor concentration at the droplet surface (kgmol/m3 ) vapor concentration in the bulk gas (kgmol/m3 )

Note that FLUENT’s vaporization law assumes that Ni is positive (evaporation). If conditions exist in which Ni is negative (i.e., the droplet temperature falls below the dew point and condensation conditions exist), FLUENT treats the droplet as inert (Ni = 0.0). The concentration of vapor at the droplet surface is evaluated by assuming that the partial pressure of vapor at the interface is equal to the saturated vapor pressure, psat , at the particle droplet temperature, Tp : Ci,s =

psat (Tp ) RTp

(19.3-13)

where R is the universal gas constant. The concentration of vapor in the bulk gas is known from solution of the transport equation for species i or from the PDF look-up table for non-premixed or partially premixed combustion calculations:

c Fluent Inc. December 3, 2001

19-27

Discrete Phase Models

Ci,∞ = Xi

pop RT∞

(19.3-14)

where Xi is the local bulk mole fraction of species i, pop is the operating pressure, and T∞ is the local bulk temperature in the gas. The mass transfer coefficient in Equation 19.3-12 is calculated from a Nusselt correlation [185, 186]: NuAB = where

Di,m Sc dp

= = =

kc dp 1/2 = 2.0 + 0.6Red Sc1/3 Di,m

(19.3-15)

diffusion coefficient of vapor in the bulk (m2 /s) the Schmidt number, ρDµi,m particle (droplet) diameter (m)

The vapor flux given by Equation 19.3-12 becomes a source of species i in the gas phase species transport equation, as specified by you (see Section 19.11) or from the PDF look-up table for non-premixed combustion calculations. The mass of the droplet is reduced according to mp (t + ∆t) = mp (t) − Ni Ap Mw,i ∆t where

Mw,i mp Ap

= = =

(19.3-16)

molecular weight of species i (kg/kgmol) mass of the droplet (kg) surface area of the droplet (m2 )

FLUENT can also solve Equation 19.3-16 in conjunction with the equivalent heat transfer equation using a stiff coupled solver. See Section 19.7.3 for details. Defining the Vapor Pressure and Diffusion Coefficient You define the vapor pressure as a polynomial or piecewise linear function of temperature (psat (T )) during the problem definition. Note that the vapor pressure definition is critical, as psat is used to obtain the driving

19-28

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

force for the evaporation process (Equations 19.3-12 and 19.3-13). You should provide accurate vapor pressure values for temperatures over the entire range of possible droplet temperatures in your problem. Vapor pressure data can be obtained from a physics or engineering handbook (e.g., [175]). You also input the diffusion coefficient, Di,m , during the setup of the discrete phase material properties. Note that the diffusion coefficient inputs that you supply for the continuous phase are not used in the discrete phase model. Heat Transfer to the Droplet Finally, the droplet temperature is updated according to a heat balance that relates the sensible heat change in the droplet to the convective and latent heat transfer between the droplet and the continuous phase:

mp cp where

dTp dmp = hAp (T∞ − Tp ) + hfg + Ap p σ(θR 4 − Tp 4 ) dt dt cp Tp h T∞

dmp dt hfg

p σ θR

= = = = = = = = =

(19.3-17)

droplet heat capacity (J/kg-K) droplet temperature (K) convective heat transfer coefficient (W/m2 -K) temperature of continuous phase (K) rate of evaporation (kg/s) latent heat (J/kg) particle emissivity (dimensionless) Stefan-Boltzmann constant (5.67 x 10−8 W/m2 -K4 ) I 1/4 radiation temperature, ( 4σ ) , where I is the radiation intensity

Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. The heat transferred to or from the gas phase becomes a source/sink of energy during subsequent calculations of the continuous phase energy

c Fluent Inc. December 3, 2001

19-29

Discrete Phase Models

equation. 19.3.4

Law 3: Droplet Boiling

Law 3 is applied to predict the convective boiling of a discrete phase droplet when the temperature of the droplet has reached the boiling temperature, Tbp , and while the mass of the droplet exceeds the nonvolatile fraction, (1 − fv,0 ): Tp ≥ Tbp

(19.3-18)

mp > (1 − fv,0 )mp,0

(19.3-19)

and

When the droplet temperature reaches the boiling point, a boiling rate equation is applied [120]: "

p d(dp ) cp,∞ (T∞ − Tp ) 4k∞ (1 + 0.23 Red ) ln 1 + = dt ρp cp,∞ dp hfg

where

cp,∞ ρp k∞

= = =

#

(19.3-20)

heat capacity of the gas (J/kg-K) droplet density (kg/m3 ) thermal conductivity of the gas (W/m-K)

Equation 19.3-20 has been derived assuming steady flow at constant pressure. Note that the model requires T∞ > Tbp in order for boiling to occur and that the droplet remains at fixed temperature (Tbp ) throughout the boiling law. When radiation heat transfer is active, FLUENT uses a slight modification of Equation 19.3-20, derived by starting from Equation 19.3-17 and assuming that the droplet temperature is constant. This yields −

19-30

dmp hfg = hAp (T∞ − Tp ) + Ap p σ(θR 4 − Tp 4 ) dt

(19.3-21)

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

or "

#

d(dp ) k∞ Nu 2 4 − (T∞ − Tp ) + p σ(θR − Tp4 ) = dt ρp hfg dp

(19.3-22)

Using Equation 19.3-9 for the Nusselt number correlation and replacing the Prandtl number term with an empirical constant, Equation 19.3-22 becomes " # √ d(dp ) 2k∞ [1 + 0.23 Red ] 2 4 − (T∞ − Tp ) + p σ(θR − Tp4 ) = dt ρp hfg dp (19.3-23)

In the absence of radiation, this result matches that of Equation 19.3-20 in the limit that the argument of the logarithm is close to unity. FLUENT uses Equation 19.3-23 when radiation is active in your model and Equation 19.3-20 when radiation is not active. Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. The droplet is assumed to stay at constant temperature while the boiling rate is applied. Once the boiling law is entered it is applied for the duration of the particle trajectory. The energy required for vaporization appears as a (negative) source term in the energy equation for the gas phase. The evaporated liquid enters the gas phase as species i, as defined by your input for the destination species (see Section 19.11). 19.3.5

Law 4: Devolatilization

The devolatilization law is applied to a combusting particle when the temperature of the particle reaches the vaporization temperature, Tvap , and remains in effect while the mass of the particle, mp , exceeds the mass of the non-volatiles in the particle: Tp ≥ Tvap and Tp ≥ Tbp c Fluent Inc. December 3, 2001

(19.3-24) 19-31

Discrete Phase Models

and mp > (1 − fv,0 )(1 − fw,0 )mp,0

(19.3-25)

where fw,0 is the mass fraction of the evaporating /boiling material if Wet Combustion is selected (otherwise, fw,0 = 0). As implied by Equation 19.3-24, the boiling point Tbp and the vaporization temperature Tvap should be set equal to each other when Law 4 is to be used. When wet combustion is active, Tbp and Tvap refer to the boiling and evaporation temperatures for the combusting material only. FLUENT provides a choice of four devolatilization models: • the constant rate model (the default model) • the single kinetic rate model • the two competing rates model (the Kobayashi model) • the chemical percolation devolatilization (CPD) model Each of these models is described, in turn, below. Choosing the Devolatilization Model You will choose the devolatilization model when you are setting physical properties for the combusting-particle material in the Materials panel, as described in Section 19.11.2. By default, the constant rate model (Equation 19.3-26) will be used. The Constant Rate Devolatilization Model The constant rate devolatilization law dictates that volatiles are released at a constant rate [13]: −

19-32

1 dmp = A0 fv,0 (1 − fw,0 )mp,0 dt

(19.3-26)

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

where

mp fv,0 mp,0 A0

= = = =

particle mass (kg) fraction of volatiles initially present in the particle initial particle mass (kg) rate constant (s−1 )

The rate constant A0 is defined as part of your modeling inputs, with a default value of 12 s−1 derived from the work of Pillai [180] on coal combustion. Proper use of the constant devolatilization rate requires that the vaporization temperature, which controls the onset of devolatilization, be set appropriately. Values in the literature show this temperature to be about 600 K [13]. The volatile fraction of the particle enters the gas phase as the devolatilizing species i, defined by you (see Section 19.11). Once in the gas phase, the volatiles may react according to the inputs governing the gas phase chemistry. The Single Kinetic Rate Model The single kinetic rate devolatilization model assumes that the rate of devolatilization is first-order dependent on the amount of volatiles remaining in the particle [5]: − where

dmp = k[mp − (1 − fv,0 )(1 − fw,0 )mp,0 ] dt

mp fv,0

= =

fw,0

=

mp,0 k

= =

(19.3-27)

particle mass (kg) mass fraction of volatiles initially present in the particle mass fraction of evaporating/boiling material (if wet combustion is modeled) initial particle mass (kg) kinetic rate (s−1 )

Note that fv,0 , the fraction of volatiles fined using a value slightly in excess of analysis. The kinetic rate, k, is defined pre-exponential factor and an activation

c Fluent Inc. December 3, 2001

in the particle, should be dethat determined by proximate by input of an Arrhenius type energy:

19-33

Discrete Phase Models

k = A1 e−(E/RT )

(19.3-28)

FLUENT uses default rate constants, A1 and E, as given in [5]. Equation 19.3-27 has the approximate analytical solution: mp (t + ∆t) = (1 − fv,0 )(1 − fw,0 )mp,0 + [mp (t) − (1 − fv,0 )(1 − fw,0)mp,0 ]e−k∆t

(19.3-29)

which is obtained by assuming that the particle temperature varies only slightly between discrete time integration steps. FLUENT can also solve Equation 19.3-29 in conjunction with the equivalent heat transfer equation using a stiff coupled solver. See Section 19.7.3 for details. The Two Competing Rates Kobayashi Model FLUENT also provides the kinetic devolatilization rate expressions of the form proposed by Kobayashi [117]: R1 = A1 e−(E1 /RTp )

(19.3-30)

R2 = A2 e−(E2 /RTp )

(19.3-31)

where R1 and R2 are competing rates that may control the devolatilization over different temperature ranges. The two kinetic rates are weighted to yield an expression for the devolatilization as

mv (t) = (1 − fw,0)mp,0 − ma

Z 0

t



(α1 R1 + α2 R2 ) exp −

Z 0

t



(R1 + R2 ) dt dt (19.3-32)

19-34

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

where

mv (t) mp,0 α1 , α2 ma

= = = =

volatile yield up to time t initial particle mass at injection yield factors ash content in the particle

The Kobayashi model requires input of the kinetic rate parameters, A1 , E1 , A2 , and E2 , and the yields of the two competing reactions, α1 and α2 . FLUENT uses default values for the yield factors of 0.3 for the first (slow) reaction and 1.0 for the second (fast) reaction. It is recommended in the literature [117] that α1 be set to the fraction of volatiles determined by proximate analysis, since this rate represents devolatilization at low temperature. The second yield parameter, α2 , should be set close to unity, which is the yield of volatiles at very high temperature. By default, Equation 19.3-32 is integrated in time analytically, assuming the particle temperature to be constant over the discrete time integration step. FLUENT can also solve Equation 19.3-32 in conjunction with the equivalent heat transfer equation using a stiff coupled solver. See Section 19.7.3 for details. The CPD Model In contrast to the coal devolatilization models presented above, which are based on empirical rate relationships, the chemical percolation devolatilization (CPD) model characterizes the devolatilization behavior of rapidly heated coal based on the physical and chemical transformations of the coal structure [68, 69, 81]. General Description During coal pyrolysis, the labile bonds between the aromatic clusters in the coal structure lattice are cleaved, resulting in two general classes of fragments. One set of fragments has a low molecular weight (and correspondingly high vapor pressure) and escapes from the coal particle as a light gas. The other set of fragments consists of tar gas precursors that have a relatively high molecular weight (and correspondingly low vapor pressure) and tend to remain in the coal for a long period of time during typical devolatilization conditions. During this time, reattachment with the coal lattice (which is referred to as crosslinking) can occur. The high

c Fluent Inc. December 3, 2001

19-35

Discrete Phase Models

molecular weight compounds plus the residual lattice are referred to as metaplast. The softening behavior of a coal particle is determined by the quantity and nature of the metaplast generated during devolatilization. The portion of the lattice structure that remains after devolatilization is comprised of char and mineral-compound-based ash. The CPD model characterizes the chemical and physical processes by considering the coal structure as a simplified lattice or network of chemical bridges that link the aromatic clusters. Modeling the cleavage of the bridges and the generation of light gas, char, and tar precursors is then considered to be analogous to the chemical reaction scheme shown in Figure 19.3.1.

kδ £

kb



kg

2g 1

£* kc c+ 2g 2 Figure 19.3.1: Coal Bridge

The variable £ represents the original population of labile bridges in the coal lattice. Upon heating, these bridges become the set of reactive bridges, £∗ . For the reactive bridges, two competing paths are available. In one path, the bridges react to form side chains, δ. The side chains may detach from the aromatic clusters to form light gas, g1 . As bridges between neighboring aromatic clusters are cleaved, a certain fraction of the coal becomes detached from the coal lattice. These detached aromatic clusters are the heavy-molecular-weight tar precursors that form the metaplast. The metaplast vaporizes to form coal tar. While waiting for vaporization, the metaplast can also reattach to the coal lattice matrix (crosslinking). In the other path, the bridges react and become a char bridge, c, with the release of an associated light gas product, g2 . The total population of bridges in the coal lattice matrix can be 19-36

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

represented by the variable p, where p = £ + c. Reaction Rates Given this set of variables that characterizes the coal lattice structure during devolatilization, the following set of reaction rate expressions can be defined for each, starting with the assumption that the reactive bridges are destroyed at the same rate at which they are created ∗ ( ∂£ ∂t = 0): d£ dt dc dt dδ dt dg1 dt dg2 dt

= −kb £ £ ρ+1   £ − kg δ = 2ρkb ρ+1 = kb

(19.3-33) (19.3-34) (19.3-35)

= kg δ

(19.3-36)

dc dt

(19.3-37)

= 2

where the rate constants for bridge breaking and gas release steps, kb and kg , are expressed in Arrhenius form with a distributed activation energy: k = Ae−(E±Eσ )/RT

(19.3-38)

where A, E, and Eσ are, respectively, the pre-exponential factor, the activation energy, and the distributed variation in the activation energy, R is the universal gas constant, and T is the temperature. The ratio of rate constants, ρ = kδ /kc , is set to 0.9 in this model based on experimental data. Mass Conservation The following mass conservation relationships are imposed:

c Fluent Inc. December 3, 2001

19-37

Discrete Phase Models

g = g1 + g2

(19.3-39)

g1 = 2f − σ

(19.3-40)

g2 = 2(c − c0 )

(19.3-41)

where f is the fraction of broken bridges (f = 1 − p). The initial conditions for this system are given by the following:

c(0) = c0

(19.3-42)

£(0) = £0 = p0 − c0

(19.3-43)

δ(0) = 2f0 = 2(1 − c0 − £0 )

(19.3-44)

g(0) = g1 (0) = g2 (0) = 0

(19.3-45)

where c0 is the initial fraction of char bridges, p0 is the initial fraction of bridges in the coal lattice, and £0 is the initial fraction of labile bridges in the coal lattice. Fractional Change in the Coal Mass Given the set of reaction equations for the coal structure parameters, it is necessary to relate these quantities to changes in coal mass and the related release of volatile products. To accomplish this, the fractional change in the coal mass as a function of time is divided into three parts: light gas (fgas ), tar precursor fragments (ffrag ), and char (fchar ). This is accomplished by using the following relationships, which are obtained using percolation lattice statistics:

r(g1 + g2 )(σ + 1) (19.3-46) 4 + 2r(1 − c0 )(σ + 1) 2 ffrag (t) = [ΦF (p) + rΩK(p)] (19.3-47) 2 + r(1 − c0 )(σ + 1) fchar (t) = 1 − fgas (t) − ffrag (t) (19.3-48) fgas (t) =

19-38

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

The variables Φ, Ω, F (p), and K(p) are the statistical relationships related to the cleaving of bridges based on the percolation lattice statistics, and are given by the following equations: 

£ (σ − 1)δ + p 4(1 − p) δ £ − 2(1 − p) p



Φ = 1+r

(19.3-49)

Ω =

(19.3-50)



F (p) =

p0 p

 σ+1 σ−1



K(p) =

1−



(19.3-51) 

σ+1 0 p 2



p0 p

σ+1  σ−1

(19.3-52)

r is the ratio of bridge mass to site mass, mb /ma , where

mb = 2Mw,δ

(19.3-53)

ma = Mw,1 − (σ + 1)Mw,δ

(19.3-54)

where Mw,δ and Mw,1 are the side chain and cluster molecular weights respectively. σ + 1 is the lattice coordination number, which is determined from solid-state Nuclear Magnetic Resonance (NMR) measurements related to coal structure parameters, and p0 is the root of the following equation in p (the total number of bridges in the coal lattice matrix): p0 (1 − p0 )σ−1 = p(1 − p)σ−1

(19.3-55)

In accounting for mass in the metaplast (tar precursor fragments), the part that vaporizes is treated in a manner similar to flash vaporization, where it is assumed that the finite fragments undergo vapor/liquid phase equilibration on a time scale that is rapid with respect to the bridge reactions. As an estimate of the vapor/liquid that is present at any time, a vapor pressure correlation based on a simple form of Raoult’s Law is used. The vapor pressure treatment is largely responsible for predicting

c Fluent Inc. December 3, 2001

19-39

Discrete Phase Models

pressure-dependent devolatilization yields. For the part of the metaplast that reattaches to the coal lattice, a cross-linking rate expression given by the following equation is used: dmcross = mfrag Across e−(Ecross /RT ) dt

(19.3-56)

where mcross is the amount of mass reattaching to the matrix, mfrag is the amount of mass in the tar precursor fragments (metaplast), and Across and Ecross are rate expression constants. CPD Inputs Given the set of equations and corresponding rate constants introduced for the CPD model, the number of constants that must be defined to use the model is a primary concern. For the relationships defined previously, it can be shown that the following parameters are coal-independent [68]: • Ab , Eb , Eσb , Ag , Eg , and Eσg for the rate constants kb and kg • Across , Ecross , and ρ These constants are included in the submodel formulation and are not input or modified during problem setup. There are an additional five parameters that are coal-specific and must be specified during the problem setup: • initial fraction of bridges in the coal lattice, p0 • initial fraction of char bridges, c0 • lattice coordination number, σ + 1 • cluster molecular weight, Mw,1 • side chain molecular weight, Mw,δ

19-40

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

The first four of these are coal structure quantities that are obtained from NMR experimental data. The last quantity, representing the char bridges that either exist in the parent coal or are formed very early in the devolatilization process, is estimated based on the coal rank. These quantities are entered in the Materials panel as described in Section 19.11.2. Values for the coal-dependent parameters for a variety of coals are listed in Table 19.3.1. Table 19.3.1: Chemical Structure Parameters for Coal Type Zap (AR) Wyodak (AR) Utah (AR) Ill6 (AR) Pitt8 (AR) Stockton (AR) Freeport (AR) Pocahontas (AR) Blue (Sandia) Rose (AFR) 1443 (lignite, ACERC) 1488 (subbituminous, ACERC) 1468 (anthracite, ACERC)

σ+1 3.9 5.6 5.1 5.0 4.5 4.8 5.3 4.4 5.0 5.8 4.8 4.7 4.7

p0 .63 .55 .49 .63 .62 .69 .67 .74 .42 .57 .59 .54 .89

13 C

NMR for 13 Coals

Mw,1 277 410 359 316 294 275 302 299 410 459 297 310 656

Mw,δ 40 42 36 27 24 20 17 14 47 48 36 37 12

c0 .20 .14 0 0 0 0 0 .20 .15 .10 .20 .15 .25

AR refers to eight types of coal from the Argonne premium sample bank [224, 251]. Sandia refers to the coal examined at Sandia National Laboratories [67]. AFR refers to coal examined at Advanced Fuel Research. ACERC refers to three types of coal examined at the Advanced Combustion Engineering Research Center.

Particle Swelling During Devolatilization The particle diameter changes during the devolatilization according to the swelling coefficient, Csw , which is defined by you and applied in the following relationship:

c Fluent Inc. December 3, 2001

19-41

Discrete Phase Models

dp (1 − fw,0 )mp,0 − mp = 1 + (Csw − 1) dp,0 fv,0 (1 − fw,0 )mp,0 where

dp,0 dp (1−f

= =

(19.3-57)

particle diameter at the start of devolatilization current particle diameter

)m

−m

p w,0 p,0 The term fv,0 (1−f is the ratio of the mass that has been dew,0 )mp,0 volatilized to the total volatile mass of the particle. This quantity approaches a value of 1.0 as the devolatilization law is applied. When the swelling coefficient is equal to 1.0, the particle diameter stays constant. When the swelling coefficient is equal to 2.0, the final particle diameter doubles when all of the volatile component has vaporized, and when the swelling coefficient is equal to 0.5 the final particle diameter is half of its initial diameter.

Heat Transfer to the Particle During Devolatilization Heat transfer to the particle during the devolatilization process includes contributions from convection, radiation (if active), and the heat consumed during devolatilization:

mp cp

dTp dmp = hAp (T∞ − Tp ) + hfg + Ap p σ(θR 4 − Tp 4 ) dt dt

(19.3-58)

Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. By default, Equation 19.3-58 is solved analytically, by assuming that the temperature and mass of the particle do not change significantly between time steps: Tp (t + ∆t) = αp + [Tp (t) − αp ]e−βp t

(19.3-59)

where

19-42

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

dm

hAp T∞ + dtp hfg + Ap p σθR 4 αp = hAp + p Ap σTp 3

(19.3-60)

and

βp =

Ap (h + p σTp 3 ) mp cp

(19.3-61)

FLUENT can also solve Equation 19.3-58 in conjunction with the equivalent mass transfer equation using a stiff coupled solver. See Section 19.7.3 for details. 19.3.6

Law 5: Surface Combustion

After the volatile component of the particle is completely evolved, a surface reaction begins, which consumes the combustible fraction, fcomb , of the particle. Law 5 is thus active (for a combusting particle) after the volatiles are evolved: mp < (1 − fv,0 )(1 − fw,0 )mp,0

(19.3-62)

and until the combustible fraction is consumed: mp > [(1 − fv,0 )(1 − fw,0 ) − fcomb ]mp,0

(19.3-63)

When the combustible fraction, fcomb , has been consumed in Law 5, the combusting particle may contain residual “ash” that reverts to the inert heating law, Law 6 (see Section 19.3.2). With the exception of the multiple surface reactions model, the surface combustion law consumes the reactive content of the particle as governed by the stoichiometric requirement, Sb , of the surface “burnout” reaction: char(s) + Sb ox(g) −→ products(g)

c Fluent Inc. December 3, 2001

(19.3-64)

19-43

Discrete Phase Models

where Sb is defined in terms of mass of oxidant per mass of char, and the oxidant and product species are defined in the Set Injection Properties panel. FLUENT provides a choice of four heterogeneous surface reaction rate models for combusting particles: • the diffusion-limited rate model (the default model) • the kinetics/diffusion-limited rate model • the intrinsic model • the multiple surface reactions model Each of these models is described in detail below. You will choose the surface combustion model when you are setting physical properties for the combusting-particle material in the Materials panel, as described in Section 19.11.2. By default, the diffusion-limited rate model will be used. Diffusion-Limited Surface Reaction Rate Model The diffusion-limited surface reaction rate model, the default model in FLUENT, assumes that the surface reaction proceeds at a rate determined by the diffusion of the gaseous oxidant to the surface of the particle: dmp Yox T∞ ρg = −4πdp Di,m dt Sb (Tp + T∞ ) where

Di,m Yox ρg Sb

= = = =

(19.3-65)

diffusion coefficient for oxidant in the bulk (m2 /s) local mass fraction of oxidant in the gas gas density (kg/m3 ) stoichiometry of Equation 19.3-64

Equation 19.3-65 is derived from the model of Baum and Street [13] with the kinetic contribution to the surface reaction rate ignored. The diffusion-limited rate model assumes that the diameter of the particles does not change. Since the mass of the particles is decreasing, the effective density decreases, and the char particles become more porous.

19-44

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

Kinetic/Diffusion Surface Reaction Rate Model The kinetic/diffusion-limited rate model assumes that the surface reaction rate is determined either by kinetics or by a diffusion rate. FLUENT uses the model of Baum and Street [13] and Field [65], in which a diffusion rate coefficient

D0 = C1

[(Tp + T∞ )/2]0.75 dp

(19.3-66)

and a kinetic rate R = C2 e−(E/RTp )

(19.3-67)

are weighted to yield a char combustion rate of dmp D0 R = −πd2p pox dt D0 + R

(19.3-68)

where pox is the partial pressure of oxidant species in the gas surrounding the combusting particle, and the kinetic rate, R, incorporates the effects of chemical reaction on the internal surface of the char particle (intrinsic reaction) and pore diffusion. In FLUENT, Equation 19.3-68 is recast in terms of the oxidant mass fraction, Yox , as dmp ρRT Yox D0 R = −πd2p dt Mw,ox D0 + R

(19.3-69)

The particle size is assumed to remain constant in this model while the density is allowed to decrease. When this model is enabled, the rate constants used in Equations 19.3-66 and 19.3-67 are entered in the Materials panel, as described in Section 19.11.

c Fluent Inc. December 3, 2001

19-45

Discrete Phase Models

Intrinsic Model The intrinsic model in FLUENT is based on Smith’s model [218], assuming the order of reaction is equal to unity. Like the kinetic/diffusion model, the intrinsic model assumes that the surface reaction rate includes the effects of both bulk diffusion and chemical reaction (see Equation 19.3-69). The intrinsic model uses Equation 19.3-66 to compute the diffusion rate coefficient, D0 , but the chemical rate, R, is explicitly expressed in terms of the intrinsic chemical and pore diffusion rates: R=η

dp ρp Ag ki 6

(19.3-70)

η is the effectiveness factor, or the ratio of the actual combustion rate to the rate attainable if no pore diffusion resistance existed [130]: η=

3 (φ coth φ − 1) φ2

(19.3-71)

where φ is the Thiele modulus: 

dp Sb ρp Ag ki pox φ= 2 De Cox

1/2

(19.3-72)

Cox is the concentration of oxidant in the bulk gas (kg/m3 ) and De is the effective diffusion coefficient in the particle pores. Assuming that the pore size distribution is unimodal and the bulk and Knudsen diffusion proceed in parallel, De is given by 

1 θ 1 De = 2 + τ DKn D0

−1

(19.3-73)

where D0 is the bulk molecular diffusion coefficient and θ is the porosity of the char particle: θ =1−

19-46

ρp ρt

(19.3-74)

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

ρp and ρt are, respectively, the apparent and true densities of the pyrolysis char. τ (in Equation 19.3-73) √ is the tortuosity of the pores. The default value for τ in FLUENT is 2, which corresponds to an average intersecting angle between the pores and the external surface of 45◦ [130]. DKn is the Knudsen diffusion coefficient: s

DKn = 97.0r p

Tp Mw,ox

(19.3-75)

where Tp is the particle temperature and rp is the mean pore radius of the char particle, which can be measured by mercury porosimetry. Note that macropores (r p > 150 ˚ A) dominate in low-rank chars while micropores (rp < 10 ˚ A) dominate in high-rank chars [130]. Ag (in Equations 19.3-70 and 19.3-72) is the specific internal surface area of the char particle, which is assumed in this model to remain constant during char combustion. Internal surface area data for various pyrolysis chars can be found in [217]. The mean value of the internal surface area during char combustion is higher than that of the pyrolysis char [130]. For example, an estimated mean value for bituminous chars is 300 m2 /g [33]. ki (in Equations 19.3-70 and 19.3-72) is the intrinsic reactivity, which is of Arrhenius form: ki = Ai e−(Ei /RTp )

(19.3-76)

where the pre-exponential factor Ai and the activation energy Ei can be measured for each char. In the absence of such measurements, the default values provided by FLUENT (which are taken from a least squares fit of data of a wide range of porous carbons, including chars [217]) can be used. To allow a more adequate description of the char particle size (and hence density) variation during combustion, you can specify the burning mode

c Fluent Inc. December 3, 2001

19-47

Discrete Phase Models

α, relating the char particle diameter to the fractional degree of burnout U (where U = 1 − mp /mp,0 ) by [216] dp = (1 − U )α dp,0

(19.3-77)

where mp is the char particle mass and the subscript zero refers to initial conditions (i.e., at the start of char combustion). Note that 0 ≤ α ≤ 1/3 where the limiting values 0 and 1/3 correspond, respectively, to a constant size with decreasing density (zone 1) and a decreasing size with constant density (zone 3) during burnout. In zone 2, an intermediate value of α = 0.25, corresponding to a decrease of both size and density, has been found to work well for a variety of chars [216]. When this model is enabled, the rate constants used in Equations 19.3-66, 19.3-70, 19.3-72, 19.3-73, 19.3-75, 19.3-76, and 19.3-77 are entered in the Materials panel, as described in Section 19.11. The Multiple Surface Reactions Model Modeling multiple char reactions follows the same pattern as the wall surface reaction models, where the surface species is now a “particle surface species”. The particle surface species can be depleted or produced by the stoichiometry of the particle surface reaction (defined in the Reactions panel) for the mixture material defined in the Species Model panel. If a particle surface species is depleted, the reactive “char” content of the particle is consumed. In turn, if a surface species is produced by the particle surface reaction, the species is added to the particle residual “ash” mass. Any number of particle surface species and any number of particle surface reactions can be defined for any given combusting particle; however, you must have only one particle surface species in the reactants list of a particle reaction. Multiple injections can be accommodated, and combusting particles reacting according to the multiple surface reactions model can coexist in the calculation with combusting particles following other char combustion laws. The model is based on oxidation studies of char particles,

19-48

c Fluent Inc. December 3, 2001

19.3 Heat and Mass Transfer Calculations

but it is applicable to gas-solid reactions in general, not only to char oxidation reactions. See Section 13.3 for information about particle surface reactions. Limitations Note the following limitations of the multiple surface reactions model: • The model is not available together with the unsteady tracking option. • The model is available only with the species transport model for volumetric reactions, and not with the non-premixed, premixed, or partially premixed combustion models. Heat and Mass Transfer During Char Combustion The surface reaction consumes the oxidant species in the gas phase; i.e., it supplies a (negative) source term during the computation of the transport equation for this species. Similarly, the surface reaction is a source of species in the gas phase: the product of the heterogeneous surface reaction appears in the gas phase as a user-selected chemical species. The surface reaction also consumes or produces energy, in an amount determined by the heat of reaction defined by you. The particle heat balance during surface reaction is

mp cp

dTp dmp = hAp (T∞ − Tp ) − fh Hreac + Ap p σ(θR 4 − Tp 4 ) (19.3-78) dt dt

where Hreac is the heat released by the surface reaction. Note that only a portion (1− fh ) of the energy produced by the surface reaction appears as a heat source in the gas-phase energy equation: the particle absorbs a fraction fh of this heat directly. For coal combustion, it is recommended that fh be set at 1.0 if the char burnout product is CO and 0.3 if the char burnout product is CO2 [24].

c Fluent Inc. December 3, 2001

19-49

Discrete Phase Models

Radiation heat transfer to the particle is included only if you have enabled the P-1 or discrete ordinates radiation model and you have activated radiation heat transfer to particles using the Particle Radiation Interaction option in the Discrete Phase Model panel. By default, Equation 19.3-78 is solved analytically, by assuming that the temperature and mass of the particle do not change significantly between time steps. FLUENT can also solve Equation 19.3-78 in conjunction with the equivalent mass transfer equation using a stiff coupled solver. See Section 19.7.3 for details. 19.3.7

Using Combusting Particles for General Heterogeneous Surface Reactions

The combusting particle type in FLUENT is presented with a focus on modeling of coal particle combustion. You can, however, use this particle type to model general heterogeneous reactions on particles in which a solid particle reacts with a gas-phase component to form a single gasphase product. For example, 4Al(s) + 3Cl2 (g) → 2Al2 Cl3 (g) This can be accomplished by simply omitting the devolatilization process (Law 4) by setting the fraction of volatiles to zero. In this case the surface reaction law, Law 5, provides a general heterogeneous surface reaction that consumes a gas-phase “oxidant” and produces a gas-phase product species defined by you.

19-50

c Fluent Inc. December 3, 2001

19.4 Spray Models

19.4

Spray Models

In addition to the simple injection types described in Section 19.9.2, FLUENT also provides more complex injection types for sprays. For most types of injections, you will need to provide the initial diameter, position, and velocity of the particles. For sprays, however, there are models available for droplet breakup and collision, as well as a drag coefficient that accounts for variation in droplet shape. These models for realistic spray simulations are described in this section. Information is organized into the following subsections: • Section 19.4.1: Atomizer Models • Section 19.4.2: Droplet Collision Model • Section 19.4.3: Spray Breakup Models • Section 19.4.4: Dynamic Drag Model 19.4.1

Atomizer Models

Five atomizer models are available in FLUENT: • plain-orifice atomizer • pressure-swirl atomizer • flat-fan atomizer • air-blast/air-assisted atomizer • effervescent/flashing atomizer You can choose them as injection types and define the associated parameters in the Set Injection Properties panel, as described in Section 19.9.2. Details about the atomizer models are provided below.

c Fluent Inc. December 3, 2001

19-51

Discrete Phase Models

General Information All of the models use physical and numerical atomizer parameters, such as orifice diameter and mass flow rate, to calculate initial droplet size, velocity, and position. For realistic atomizer simulations, the droplets must be randomly distributed, both through a dispersion angle and in their time of release. For the other types of injections in FLUENT (non-atomizer), all of the droplets are released along fixed trajectories and at the beginning of the time step. The atomizer models use stochastic trajectory selection and staggering to attain random distribution. Stochastic trajectory selection is the random dispersion of initial droplet directions. All of the atomizer models provide an initial dispersion angle, and the stochastic trajectory selection picks an initial direction within this angle. This approach improves the accuracy of the results for spraydominated flows. The droplets will be more evenly spread among the computational cells near the atomizer, which improves the coupling to the gas phase by spreading drag more smoothly over the cells near the injection. The Plain-Orifice Atomizer Model The plain-orifice is the most common type of atomizer and the most simply made. However there is nothing simple about the physics of the internal nozzle flow and the external atomization. In the plain-orifice atomizer, the liquid is accelerated through a nozzle, forms a liquid jet, and then forms droplets. This apparently simple process is dauntingly complex. The plain orifice may operate in three different regimes: singlephase, cavitating, and flipped [225]. The transition between regimes is abrupt, producing dramatically different sprays. The internal regime determines the velocity at the orifice exit, as well as the initial droplet size and the angle of droplet dispersion. Diagrams of each case are shown in Figures 19.4.1, 19.4.2, and 19.4.3.

19-52

c Fluent Inc. December 3, 2001

19.4 Spray Models

r

p

p

1

d

2

liquid jet orifice walls

downstream gas

L Figure 19.4.1: Single-Phase Nozzle Flow (Liquid completely fills the orifice.)

vapor

liquid jet vapor

orifice walls

downstream gas

Figure 19.4.2: Cavitating Nozzle Flow (Vapor pockets form just after the inlet corners.)

c Fluent Inc. December 3, 2001

19-53

Discrete Phase Models

liquid jet orifice walls

downstream gas

Figure 19.4.3: Flipped Nozzle Flow (Downstream gas surrounds the liquid jet inside the nozzle.)

Internal Nozzle State The plain-orifice model must identify the correct state for the nozzle flow, because the internal nozzle state has a tremendous effect on the external spray. Unfortunately, there is no established theory for determining the nozzle state. One must rely on empirical models that fix experimental data. A suggested list of the governing parameters for the internal nozzle flow is given in Table 19.4.1. Table 19.4.1: List of Governing Parameters for Internal Nozzle Flow nozzle diameter nozzle length radius of curvature of the inlet corner upstream pressure downstream pressure viscosity liquid density vapor pressure

d L r p1 p2 µ ρl pv

These may be combined to form geometric non-dimensional groups such as r/d and L/d, as well as the Reynolds number based on “head” (Reh ) 19-54

c Fluent Inc. December 3, 2001

19.4 Spray Models

and a cavitation parameter (K). s

dρl Reh = µ

2(p1 − p2 ) ρl

p1 − pv p1 − p2

K=

(19.4-1)

(19.4-2)

The liquid flow often contracts in the nozzle, as can be seen in Figures 19.4.2 and 19.4.3. Nurick [166] found it helpful to use a coefficient of contraction (Cc ) that represents the area of the stream of contracting liquid over the total cross-sectional area of the nozzle. FLUENT uses Nurick’s fit for the coefficient of contraction: Cc = q

1 1 Cct



(19.4-3)

11.4r d

Cct is a theoretical constant equal to 0.611, which comes from potential flow analysis of flipped nozzles. Another important parameter used to describe the performance of nozzles is the coefficient of discharge (Cd ). The coefficient of discharge is a ratio of the mass flow rate through the nozzle, divided by the theoretical maximum mass flow rate: Cd =

m ˙ A 2ρl (p1 − p2 ) p

(19.4-4)

The cavitation number (K in Equation 19.4-2) is an essential parameter for predicting the inception of cavitation. The inception of cavitation is known to occur at a value of Kincep ≈ 1.9 for short, sharp-edged nozzles. However, to include some of the effects of inlet rounding and viscosity, an empirical relationship is used: 

Kincep = 1.9 1 −

c Fluent Inc. December 3, 2001

r d

2



1000 Reh

(19.4-5)

19-55

Discrete Phase Models

Similarly, a critical value of K where flip occurs is defined as Kcrit : Kcrit = 1 +  1+

L 4d

1



1+

2000 Reh



e70r/d

(19.4-6)

If r/d is greater than 0.05, then flip is deemed impossible and Kcrit is set to 1.0. These variables are then used in a decision tree to identify the nozzle state. The decision tree is shown in Figure 19.4.4. Depending on the state of the nozzle, a unique closure is chosen for the above equations. For a single-phase nozzle [137],

Cdu = 0.827 − 0.0085 Cd =

L d

(19.4-7)

1 1 Cdu

+ 20 (1+2.25L/d) Reh

(19.4-8)

Equation 19.4-7 is for the ultimate coefficient of discharge, Cdu . Equation 19.4-8 corrects this ultimate coefficient of discharge for the effects of viscosity. For a cavitating nozzle [166], √ Cd = Cc K

(19.4-9)

Cd = Cct

(19.4-10)

For a flipped nozzle [166],

All of the nozzle flow equations are solved iteratively, along with the appropriate relationship for coefficient of discharge as given by the nozzle state. The nozzle state may change as the upstream or downstream pressures change. Once the nozzle state is determined, the exit velocity is found, and appropriate correlations for spray angle and initial droplet size distribution are determined. 19-56

c Fluent Inc. December 3, 2001

19.4 Spray Models

K ≤ Kincep

K > K incep

K ≥ K crit

K < K crit

flipped

K ≥ Kcrit

K 1

(19.4-63)

This is the limiting case, as damping will only reduce the chance of breakup. If a droplet fails the above criterion, breakup does not occur. The only additional calculations required, then, are to update y using a discretized form of Equation 19.4-51 and its derivative, which are both

c Fluent Inc. December 3, 2001

19-79

Discrete Phase Models

based on work done by O’Rourke and Amsden [169]: y n+1 = Wec + 

e−(∆t/td ) (y n − Wec ) cos(ωt) + 

dy dt

n+1

=

−(∆t/td )

ωe



Wec − y n+1 + td 1 ω



dy dt

n

1 ω



dy dt

n



+



y n − Wec sin(ωt) td (19.4-64)





y n − Wec + cos(ω∆t) − (y n − Wec ) sin(ω∆t) td (19.4-65)

All of the constants in these expressions are assumed to be constant throughout the time step. If the criterion of Equation 19.4-63 is met, then breakup is possible. The breakup time, tbu , must be determined to see if breakup occurs within the time step ∆t. The value of tbu is set to the time required for oscillations to grow sufficiently large that the magnitude of the droplet distortion, y, is equal to unity. The breakup time is determined under the assumption that the droplet oscillation is undamped for its first period. The breakup time is therefore the smallest root greater than tn of an undamped version of Equation 19.4-51: Wec + A cos[ω(t − tn ) + φ] = 1

(19.4-66)

where cos φ =

y n − Wec A

(19.4-67)

(dy/dt)n Aω

(19.4-68)

and sin φ = −

19-80

c Fluent Inc. December 3, 2001

19.4 Spray Models

If tbu > tn+1 , then breakup will not occur during the current time step, and y and (dy/dt) are updated by Equations 19.4-64 and 19.4-65. The breakup calculation then continues with the next droplet. Conversely, if tn < tbu < tn+1 , then breakup will occur and the child droplet radii are determined by Equation 19.4-60. The number of child droplets, N , is determined by mass conservation: 

N

n+1

=N

n

rn r n+1

3

(19.4-69)

A velocity component normal to the relative velocity vector, with magnitude computed by Equation 19.4-61, is imposed upon the child droplets. It is assumed that the child droplets are neither distorted nor oscillating; i.e., y = (dy/dt) = 0. The breakup process is applied to all of the droplets in the parcel (see Section 19.4.2 for a description of parcels). Hence, there is no need to create another computational droplet after breakup. The TAB model in FLUENT changes the mass, size, and velocity of the current droplet only. Wave Breakup Model Introduction An alternative to the TAB model is the wave breakup model of Reitz [188], which considers the breakup of the injected liquid to be induced by the relative velocity between the gas and liquid phases. The model assumes that the time of breakup and the resulting droplet size are related to the fastest-growing Kelvin-Helmholtz instability, derived from the jet stability analysis described below. The wavelength and growth rate of this instability are used to predict details of the newly-formed droplets. Use and Limitations The wave model is appropriate for very-high-speed injection, where the Kelvin-Helmholtz instability is believed to dominate spray breakup (We > 100). Because breakup can increase the number of computational droplets,

c Fluent Inc. December 3, 2001

19-81

Discrete Phase Models

you may wish to inject a modest number of droplets. You must also specify the model constants, which are thought to depend on the internal flow of the spray nozzle. Jet Stability Analysis The jet stability analysis described in detail by Reitz and Bracco [187] is presented briefly here. The analysis considers the stability of a cylindrical, viscous, liquid jet of radius a issuing from a circular orifice at a velocity v into a stagnant, incompressible, inviscid gas of density ρ2 . The liquid has a density, ρ1 , and viscosity, µ1 , and a cylindrical polar coordinate system is used which moves with the jet. An arbitrary infinitesimal axisymmetric surface displacement of the form η = η0 eikz+ωt

(19.4-70)

is imposed on the initially steady motion and it is thus desired to find the dispersion relation ω = ω(k) which relates the real part of the growth rate, ω, to its wave number, k = 2π/λ. In order to determine the dispersion relation, the linearized hydrodynamic equations for the liquid are solved with wave solutions of the form

φ1 = C1 I0 (kr)eikz+ωt

(19.4-71)

ikz+ωt

(19.4-72)

ψ1 = C2 I1 (Lr)e

where φ1 and ψ1 are the velocity potential and stream function, respectively, C1 and C2 are integration constants, I0 and I1 are modified Bessel functions of the first kind, L2 = k2 + ω/ν1 , and ν1 is the liquid kinematic viscosity [188]. The liquid pressure is obtained from the inviscid part of the liquid equations. In addition, the inviscid gas equations can be solved to obtain the fluctuating gas pressure at r = a: −p21 = −ρ2 (U − iωk)2 kη

19-82

K0 (ka) K1 (ka)

(19.4-73)

c Fluent Inc. December 3, 2001

19.4 Spray Models

where K0 and K1 are modified Bessel functions of the second kind and u is the relative velocity between the liquid and the gas. The linearized boundary conditions are

∂η ∂t ∂v1 = − ∂z

v1 = ∂u1 ∂r

(19.4-74) (19.4-75)

and σ −p1 + 2µ1 − 2 a

2∂

η+a



∂z 2

!

+ p2 = 0

(19.4-76)

which are mathematical statements of the liquid kinematic free surface condition, continuity of shear stress, and continuity of normal stress, respectively. Note that u1 is the axial perturbation liquid velocity, v1 is the radial perturbation liquid velocity, and σ is the surface tension. Also note that Equation 19.4-75 was obtained under the assumption that v2 = 0. As described by Reitz [188], Equations 19.4-74 and 19.4-75 can be used to eliminate the integration constants C1 and C2 in Equation 19.4-72. Thus, when the pressure and velocity solutions are substituted into Equation 19.4-76, the desired dispersion relation is obtained: 



I 0 (ka) 2kL I1 (ka) I10 (La) ω + 2ν1 k ω 1 = − 2 I0 (ka) k + L2 I0 (ka) I1 (La) 2

2

σk L2 − a2 2 2 (1−k a ) ρ1 a2 L2 + a2

!



I1 (ka) ρ2 ω U −i + I0 (ka) ρ1 k

2

L2 − a2 L2 + a2

!

I1 (ka) K0 (ka) I0 (ka) K1 (ka) (19.4-77)

As shown by Reitz [188], Equation 19.4-77 predicts that a maximum growth rate (or most unstable wave) exists for a given set of flow conditions. Curve fits of numerical solutions to Equation 19.4-77 were gener-

c Fluent Inc. December 3, 2001

19-83

Discrete Phase Models

ated for the maximum growth rate, Ω, and the corresponding wavelength, Λ, and are given by Reitz [188]:

Λ a Ω

ρ1 a3 σ

= 9.02

!

=

(1 + 0.45Oh0.5 )(1 + 0.4Ta0.7 ) 0.6 (1 + 0.87We1.67 2 )

(0.34 + 0.38We1.5 2 ) (1 + Oh)(1 + 1.4Ta0.6 )

(19.4-78) (19.4-79)

p √ where Oh = We1 /Re1 is the Ohnesorge number and Ta = Oh We2 is the Taylor number. Furthermore, We1 = ρ1 U 2 a/σ and We2 = ρ2 U 2 a/σ are the liquid and gas Weber numbers, respectively, and Re1 = U a/ν1 is the Reynolds number.

Droplet Breakup In the wave model, the initial parcel diameters of the relatively large injected droplets are modeled using the stability analysis for liquid jets as described above. The breakup of the parcels and resulting droplets of radius a is calculated by assuming that the breakup droplet radius, r, is proportional to the wavelength of the fastest-growing unstable surface wave given by Equation 19.4-78. In other words, r = B0 Λ

(19.4-80)

where B0 is a model constant set equal to 0.61 based on the work of Reitz [188]. Furthermore, the rate of change of droplet radius in a parent parcel is given by da (a − r) =− , r≤a dt τ

(19.4-81)

where the breakup time, τ , is given by τ=

19-84

3.726B1 a ΛΩ

(19.4-82)

c Fluent Inc. December 3, 2001

19.4 Spray Models

and Λ and Ω are obtained from Equations 19.4-78 and 19.4-79, respectively. The breakup time constant, B1 , is related to the initial disturbance level on the liquid jet and has been found to vary from one nozzle to another [118]. 19.4.4

Dynamic Drag Model

Accurate determination of droplet drag coefficients is crucial for accurate spray modeling. FLUENT provides a method that determines the droplet drag coefficient dynamically, accounting for variations in the droplet shape. Use and Limitations The dynamic drag model is applicable in almost any circumstance. It is compatible with both the TAB and wave models for spray breakup. When the collision model is turned on, collisions reset the distortion and distortion velocities of the colliding droplets. Theory Many droplet drag models assume the droplet remains spherical throughout the domain. With this assumption, the drag of a spherical object is determined by the following [142]:   

Cd,sphere =

 

0.424 24 Re



1 + 16 Re2/3

Re > 1000 

(19.4-83) Re ≤ 1000

However, as an initially spherical droplet moves through a gas, its shape is distorted significantly when the Weber number is large. In the extreme case, the droplet shape will approach that of a disk. The drag of a disk, however, is significantly higher than that of a sphere. Since the droplet drag coefficient is highly dependent upon the droplet shape, a drag model that assumes the droplet is spherical is unsatisfactory. The dynamic drag model accounts for the effects of droplet distortion, linearly varying the drag between that of a sphere (Equation 19.4-83) and a value of 1.52 corresponding to a disk [142]. The drag coefficient is given by

c Fluent Inc. December 3, 2001

19-85

Discrete Phase Models

Cd = Cd,sphere (1 + 2.632y)

(19.4-84)

where y is the droplet distortion, as determined by the solution of d2 y C F ρg u2 C k σ Cd µl dy = − y− 2 2 3 dt C b ρl r ρl r ρl r 2 dt

(19.4-85)

In the limit of no distortion (y = 0), the drag coefficient of a sphere will be obtained, while at maximum distortion (y = 1) the drag coefficient corresponding to a disk will be obtained. Note that Equation 19.4-85 is obtained from the TAB model for spray breakup, described in Section 19.4.3, but the dynamic drag model can be used with either of the breakup models.

19.5

Coupling Between the Discrete and Continuous Phases

As the trajectory of a particle is computed, FLUENT keeps track of the heat, mass, and momentum gained or lost by the particle stream that follows that trajectory and these quantities can be incorporated in the subsequent continuous phase calculations. Thus, while the continuous phase always impacts the discrete phase, you can also incorporate the effect of the discrete phase trajectories on the continuum. This two-way coupling is accomplished by alternately solving the discrete and continuous phase equations until the solutions in both phases have stopped changing. This interphase exchange of heat, mass, and momentum from the particle to the continuous phase is depicted qualitatively in Figure 19.5.1. Momentum Exchange The momentum transfer from the continuous phase to the discrete phase is computed in FLUENT by examining the change in momentum of a particle as it passes through each control volume in the FLUENT model. This momentum change is computed as

19-86

c Fluent Inc. December 3, 2001

19.5 Coupling Between the Discrete and Continuous Phases

typical particle trajectory mass-exchange heat-exchange momentum-exchange

typical continuous phase control volume

Figure 19.5.1: Heat, Mass, and Momentum Transfer Between the Discrete and Continuous Phases

F =

!

X

18µCD Re ˙ p ∆t (up − u) + Fother m ρp d2p 24

(19.5-1)

where µ ρp dp Re up u CD m ˙p ∆t Fother

= = = = = = = = = =

viscosity of the fluid density of the particle diameter of the particle relative Reynolds number velocity of the particle velocity of the fluid drag coefficient mass flow rate of the particles time step other interaction forces

This momentum exchange appears as a momentum sink in the continuous phase momentum balance in any subsequent calculations of the continuous phase flow field and can be reported by FLUENT as described in

c Fluent Inc. December 3, 2001

19-87

Discrete Phase Models

Section 19.13. Heat Exchange The heat transfer from the continuous phase to the discrete phase is computed in FLUENT by examining the change in thermal energy of a particle as it passes through each control volume in the FLUENT model. In the absence of chemical reaction (i.e., for all particle laws except Law 5) this heat exchange is computed as "

m ¯p ∆mp Q= cp ∆Tp + mp,0 mp,0

−hfg + hpyrol +

Z

Tp

!#

cp,i dT

m ˙ p,0

Tref

(19.5-2) where m ¯p

=

mp,0 cp ∆Tp

= = =

∆mp

=

hfg hpyrol cp,i Tp

= = = =

Tref m ˙ p,0

= =

average mass of the particle in the control volume (kg) initial mass of the particle (kg) heat capacity of the particle (J/kg-K) temperature change of the particle in the control volume (K) change in the mass of the particle in the control volume (kg) latent heat of volatiles evolved (J/kg) heat of pyrolysis as volatiles are evolved (J/kg) heat capacity of the volatiles evolved (J/kg-K) temperature of the particle upon exit of the control volume (K) reference temperature for enthalpy (K) initial mass flow rate of the particle injection tracked (kg/s)

This heat exchange appears as a source or sink of energy in the continuous phase energy balance during any subsequent calculations of the continuous phase flow field and is reported by FLUENT as described in Section 19.13. A similar equation governs heat exchange under Law 5, in which the heat of surface combustion is incorporated.

19-88

c Fluent Inc. December 3, 2001

19.5 Coupling Between the Discrete and Continuous Phases

Mass Exchange The mass transfer from the discrete phase to the continuous phase is computed in FLUENT by examining the change in mass of a particle as it passes through each control volume in the FLUENT model. The mass change is computed simply as M=

∆mp m ˙ p,0 mp,0

(19.5-3)

This mass exchange appears as a source of mass in the continuous phase continuity equation and as a source of a chemical species defined by you. The mass sources are included in any subsequent calculations of the continuous phase flow field and are reported by FLUENT as described in Section 19.13. Under-Relaxation of the Interphase Exchange Terms Note that the interphase exchange of momentum, heat, and mass is under-relaxed during the calculation, so that Fnew = Fold + α(Fcalculated − Fold )

(19.5-4)

Qnew = Qold + α(Qcalculated − Qold )

(19.5-5)

Mnew = Mold + α(Mcalculated − Mold )

(19.5-6)

where α is the under-relaxation factor for particles/droplets that you can set in the Solution Controls panel. The default value for α is 0.5. This value may be reduced in order to improve the stability of coupled calculations. Note that the value of α does not influence the predictions obtained in the final converged solution.

c Fluent Inc. December 3, 2001

19-89

Discrete Phase Models

Interphase Exchange During Stochastic Tracking When stochastic tracking is performed, the interphase exchange terms, computed via Equations 19.5-1 to 19.5-6, are computed for each stochastic trajectory with the particle mass flow rate, m ˙ p0 , divided by the number of stochastic tracks computed. This implies that an equal mass flow of particles follows each stochastic trajectory. Interphase Exchange During Cloud Tracking When the particle cloud model is used, the interphase exchange terms are computed via Equations 19.5-1 to 19.5-6 based on ensemble-averaged flow properties in the particle cloud. The exchange terms are then distributed to all the cells in the cloud based on the weighting factor defined in Equation 19.2-61.

19.6

Overview of Using the Discrete Phase Models

The procedure for setting up and solving a problem involving a discrete phase is outlined below, and described in detail in Sections 19.7–19.13. Only the steps related specifically to discrete phase modeling are shown here. For information about inputs related to other models that you are using in conjunction with the discrete phase models, see the appropriate sections for those models. 1. Enable any of the discrete phase modeling options, if relevant, as described in Section 19.7. 2. If you are using unsteady particle tracking, define the unsteady parameters as described in Section 19.8. 3. Specify the initial conditions, as described in Section 19.9. 4. Define the boundary conditions, as described in Section 19.10. 5. Define the material properties, as described in Section 19.11. 6. Set the solution parameters and solve the problem, as described in Section 19.12. 7. Examine the results, as described in Section 19.13.

19-90

c Fluent Inc. December 3, 2001

19.7 Discrete Phase Model Options

19.7

Discrete Phase Model Options

This section provides instructions for using the optional discrete phase models available in FLUENT. All of them can be turned on in the Discrete Phase Model panel (Figure 19.7.1). Define −→ Models −→Discrete Phase... 19.7.1

Including Radiation Heat Transfer to the Particles

If you want to include the effect of radiation heat transfer to the particles (Equation 11.3-20), you must turn on the Particle Radiation Interaction option in the Discrete Phase Model panel. You will also need to define additional properties for the particle materials (emissivity and scattering factor), as described in Section 19.11.2. This option is available only when the P-1 or discrete ordinates radiation model is used. 19.7.2

Including the Thermophoretic Force on the Particles

If you want to include the effect of the thermophoretic force on the particle trajectories (Equation 19.2-14), turn on the Thermophoretic Force option in the Discrete Phase Model panel. You will also need to define the thermophoretic coefficient for the particle material, as described in Section 19.11.2. 19.7.3

Including a Coupled Heat-Mass Solution on the Particles

By default, the solution of the particle heat and mass equations are solved in a segregated manner. If you enable the Coupled Heat-Mass Solution option, FLUENT will solve this pair of equations pair using a stiff, coupled ODE solver with error tolerance control. The increased accuracy, however, comes at the expense of increased computational expense. 19.7.4

Including Brownian Motion Effects on the Particles

For sub-micron particles in laminar flow, you may want to include the effects of Brownian motion (described in Section 19.2.1) on the particle trajectories. To do so, turn on the Brownian Motion option in the Discrete Phase Model panel. When Brownian motion effects are included, it is

c Fluent Inc. December 3, 2001

19-91

Discrete Phase Models

Figure 19.7.1: The Discrete Phase Model Panel

19-92

c Fluent Inc. December 3, 2001

19.7 Discrete Phase Model Options

recommended that you also select the Stokes-Cunningham drag law in the Drag Law drop-down list under Drag Parameters, and specify the Cunningham Correction (Cc in Equation 19.2-9). 19.7.5

Including Saffman Lift Force Effects on the Particles

For sub-micron particles, you can also model the lift due to shear (the Saffman lift force, described in Section 19.2.1) in the particle trajectory. To do this, turn on the Saffman Lift Force option in the Discrete Phase Model panel. 19.7.6

Monitoring Erosion/Accretion of Particles at Walls

Particle erosion and accretion rates can be monitored at wall boundaries. These rate calculations can be enabled in the Discrete Phase Model panel when the discrete phase is coupled with the continuous phase (i.e., when Interaction with Continuous Phase is selected). Turning on the Erosion/Accretion option will cause the erosion and accretion rates to be calculated at wall boundary faces when particle tracks are updated. You will also need to set the Impact Angle Function (f (α) in Equation 19.2-62), Diameter Function (C(dp ) in Equation 19.2-62), and Velocity Exponent Function (b(v) in Equation 19.2-62) in the Wall boundary conditions panel for each wall zone (as described in Section 19.10.2). 19.7.7

Alternate Drag Laws

There are five drag laws for the particles that can be selected in the Drag Law drop-down list under Drag Parameters. The spherical, non-spherical, Stokes-Cunningham, and high-Mach-number laws described in Section 19.2.1 are always available, and the dynamicdrag law described in Section 19.4.4 is available only when one of the droplet breakup models is used in conjunction with unsteady tracking. See Section 19.8.2 for information about enabling the droplet breakup models. If the spherical law, the high-Mach-number law, or the dynamic-drag law is selected, no further inputs are required. If the nonspherical law is selected, the particle Shape Factor (φ in Equation 19.2-7) must be specified.

c Fluent Inc. December 3, 2001

19-93

Discrete Phase Models

For the Stokes-Cunningham law, the Cunningham Correction factor (Cc in Equation 19.2-9) must be specified. 19.7.8

User-Defined Functions

User-defined functions can be used to customize the discrete phase model to include additional body forces, modify interphase exchange terms (sources), calculate or integrate scalar values along the particle trajectory, and incorporate non-standard erosion rate definitions. See the separate UDF Manual for information about user-defined functions. In the Discrete Phase Model panel, under User-Defined Functions, there are drop-down lists labeled Body Force, Source, and Scalar Update. If Erosion/Accretion is enabled under Options, there will be an additional drop-down list labeled Erosion/Accretion. These lists will show available user-defined functions that can be selected to customize the discrete phase model.

19.8

Unsteady Particle Tracking

This section contains information about unsteady particle tracking with the discrete phase model. Note that you cannot use adaptive time stepping for an unsteady discrete phase calculation. 19.8.1

Inputs for Unsteady Particle Tracking

For transient flow simulations, particle trajectories can also be advanced in time with the flow simulation. If you select the Unsteady Tracking option under Unsteady Parameters in the Discrete Phase Model panel, particles will be advanced by the flow time step each time the flow solution is advanced in time. Coupled calculations are also allowed for transient flow simulations. Particle sub-iterations are done during each time step based on the value of the Number Of Continuous Phase Iterations Per DPM Iteration.

! When the coupled explicit solver is used with the explicit unsteady formulation, the particles are advanced once per time step, and are calculated at the start of the time step (before the flow is updated).

19-94

c Fluent Inc. December 3, 2001

19.8 Unsteady Particle Tracking

Additional inputs are required for each injection in the Set Injection Properties panel. The injection Start Time and Stop Time must be specified under Point Properties. Injections with start and stop times set to zero will be injected only at the start of the calculation (t = 0). Changing injection settings during the transient simulation will not affect particles currently released in the domain. At any point during the transient simulation, you can clear particles that are currently in the domain by clicking on the Clear Particles button in the Discrete Phase Model panel. If you want to save the particle history during the unsteady calculation, you can use the File/Write/Start Particle History... menu item to specify a particle history filename. File −→ Write −→Start Particle History... During the calculation, FLUENT will write the position, velocity, and other data for each particle at each time step. To turn the particle history off, select the File/Write/Stop Particle History menu item. File −→ Write −→Stop Particle History 19.8.2

Options for Spray Modeling

When you enable unsteady tracking, the Discrete Phase Model panel will expand to show options related to spray modeling. Modeling Spray Breakup To enable the modeling of spray breakup, select the Droplet Breakup option under Spray Models and then select the desired model (TAB or Wave). A detailed description of these models can be found in Section 19.4.3. For the TAB model, you will need to specify a value for y0 (the initial distortion at time equal to zero in Equation 19.4-51) in the y0 field. For the wave model, you will need to specify values for C0 and C1 , which are the integration constants of the velocity potential and stream function models represented in Equation 19.4-72, in the C0 and C1 fields. You will generally not need to modify the value of B0. This is the model

c Fluent Inc. December 3, 2001

19-95

Discrete Phase Models

constant B0 in Equation 19.4-80, and the default value 0.61 is acceptable for nearly all cases. Note that you may want to use the dynamic drag law when you use one of the spray breakup models. See Section 19.7.7 for information about choosing the drag law. Modeling Droplet Collisions To include the effect of droplet collisions, as described in Section 19.4.2, select the Droplet Collision option under Spray Models. There are no further inputs for this model.

19.9 19.9.1

Setting Initial Conditions for the Discrete Phase Overview of Initial Conditions

The primary inputs that you must provide for the discrete phase calculations in FLUENT are the initial conditions that define the starting positions, velocities, and other parameters for each particle stream. These initial conditions provide the starting values for all of the dependent discrete phase variables that describe the instantaneous conditions of an individual particle: • Position (x, y, z coordinates) of the particle. • Velocities (u, v, w) of the particle. Velocity magnitudes and spray cone angle can also be used (in 3D) to define the initial velocities (see Section 19.9.8). For moving reference frames, relative velocities should be specified. • Diameter of the particle, dp . • Temperature of the particle, Tp . • Mass flow rate of the particle stream that will follow the trajectory of the individual particle/droplet, m ˙ p (required only for coupled calculations).

19-96

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

• Additional parameters if one of the atomizer models described in Section 19.4.1 is used for the injection.

!

When an atomizer model is selected, you will not input initial diameter, velocity, and position quantities for the particles due to the complexities of sheet and ligament breakup. Instead of initial conditions, the quantities you will input for the atomizer models are global parameters. These dependent variables are updated according to the equations of motion (Section 19.2) and according to the heat/mass transfer relations applied (Section 19.3) as the particle/droplet moves along its trajectory. You can define any number of different sets of initial conditions for discrete phase particles/droplets provided that your computer has sufficient memory.

19.9.2

Injection Types

You will define the initial conditions for a particle/droplet stream by creating an “injection” and assigning properties to it. FLUENT provides 10 types of injections: • single • group • cone (only in 3D) • surface • plain-orifice atomizer • pressure-swirl atomizer • flat-fan atomizer • air-blast atomizer • effervescent atomizer • read from a file c Fluent Inc. December 3, 2001

19-97

Discrete Phase Models

For each non-atomizer injection type, you will specify each of the initial conditions listed in Section 19.9.1, the type of particle that possesses these initial conditions, and any other relevant parameters for the particle type chosen. You should create a single injection when you want to specify a single value for each of the initial conditions (Figure 19.9.1). Create a group injection (Figure 19.9.2) when you want to define a range for one or more of the initial conditions (e.g., a range of diameters or a range of initial positions). To define hollow spray cone injections in 3D problems, create a cone injection (Figure 19.9.3). To release particles from a surface (either a zone surface or a surface you have defined using the items in the Surface menu), you will create a surface injection. (If you create a surface injection, a particle stream will be released from each facet of the surface. You can use the Bounded and Sample Points options in the Plane Surface panel to create injections from a rectangular grid of particles in 3D (see Section 24.6 for details). Particle initial conditions (position, velocity, diameter, temperature, and mass flow rate) can also be read from an external file if none of the injection types listed above can be used to describe your injection distribution. The file has the following form: (( x y z u v w diameter temperature mass-flow) name ) with all of the parameters in SI units. All the parentheses are required, but the name is optional. The inputs for setting injections are described in detail in Section 19.9.5. 19.9.3

Particle Types

When you define a set of initial conditions (as described in Section 19.9.5), you will need to specify the type of particle. The particle types available to you depend on the range of physical models that you have defined in the Models family of panels. • An “inert” particle is a discrete phase element (particle, droplet, or bubble) that obeys the force balance (Equation 19.2-1) and is 19-98

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase





Figure 19.9.1: Particle Injection Defining a Single Particle Stream

➞ ➞ ➞ ➞

● ● ● ●

Figure 19.9.2: Particle Injection Defining an Initial Spatial Distribution of the Particle Streams

▼ ▼





▼ ▼

Figure 19.9.3: Particle Injection Defining an Initial Spray Distribution of the Particle Velocity

c Fluent Inc. December 3, 2001

19-99

Discrete Phase Models

subject to heating or cooling via Law 1 (Section 19.3.2). The inert type is available for all FLUENT models. • A “droplet” particle is a liquid droplet in a continuous-phase gas flow that obeys the force balance (Equation 19.2-1) and that experiences heating/cooling via Law 1 followed by vaporization and boiling via Laws 2 and 3 (Sections 19.3.3 and 19.3.4). The droplet type is available when heat transfer is being modeled and at least two chemical species are active or the non-premixed or partially premixed combustion model is active. You should use the ideal gas law to define the gas-phase density (in the Materials panel, as discussed in Section 7.2.5) when you select the droplet type. • A “combusting” particle is a solid particle that obeys the force balance (Equation 19.2-1) and experiences heating/cooling via Law 1 followed by devolatilization via Law 4 (Section 19.3.5), and a heterogeneous surface reaction via Law 5 (Section 19.3.6). Finally, the non-volatile portion of a combusting particle is subject to inert heating via Law 6. You can also include an evaporating material with the combusting particle by selecting the Wet Combustion option in the Set Injection Properties panel. This allows you to include a material that evaporates and boils via Laws 2 and 3 (Sections 19.3.3 and 19.3.4) before devolatilization of the particle material begins. The combusting type is available when heat transfer is being modeled and at least three chemical species are active or the non-premixed combustion model is active. You should use the ideal gas law to define the gas-phase density (in the Materials panel) when you select the combusting particle type. 19.9.4

Creating, Copying, Deleting, and Listing Injections

You will use the Injections panel (Figure 19.9.4) to create, copy, delete, and list injections. Define −→Injections... (You can also click on the Injections... button in the Discrete Phase Model panel to open the Injections panel.)

19-100

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

Figure 19.9.4: The Injections Panel

Creating Injections To create an injection, click on the Create button. A new injection will appear in the Injections list and the Set Injection Properties panel will open automatically to allow you to set the injection properties (as described in Section 19.9.5). Modifying Injections To modify an existing injection, select its name in the Injections list and click on the Set... button. The Set Injection Properties panel will open, and you can modify the properties as needed. If you have two or more injections for which you want to set some of the same properties, select their names in the Injections list and click on the Set... button. The Set Multiple Injection Properties panel will open, which will allow you to set the common properties. For instructions

c Fluent Inc. December 3, 2001

19-101

Discrete Phase Models

about using this panel, see Section 19.9.17. Copying Injections To copy an existing injection to a new injection, select the existing injection in the Injections list and click on the Copy button. The Set Injection Properties panel will open with a new injection that has the same properties as the injection you selected. This is useful if you want to set another injection with similar properties. Deleting Injections You can delete an injection by selecting its name in the Injections list and clicking on the Delete button. Listing Injections To list the initial conditions for the particle streams in the selected injection, click on the List button. The list reported by FLUENT in the console window contains, for each particle stream that you have defined, the following (in SI units): • Particle stream number in the column headed NO • Particle type (IN for inert, DR for droplet, or CP for combusting particle) in the column headed TYP • x, y, and z position in the columns headed (X), (Y), and (Z) • x, y, and z velocity in the columns headed (U), (V), and (W) • Temperature in the column headed (T) • Diameter in the column headed (DIAM) • Mass flow rate in the column headed (MFLOW)

19-102

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

Shortcuts for Selecting Injections FLUENT provides a shortcut for selecting injections with names that match a specified pattern. To use this shortcut, enter the pattern under Injection Name Pattern and then click Match to select the injections with names that match the specified pattern. For example, if you specify drop*, all injections that have names beginning with drop (e.g., drop-1, droplet) will be selected automatically. If they are all selected already, they will be deselected. If you specify drop?, all surfaces with names consisting of drop followed by a single character will be selected (or deselected, if they are all selected already). 19.9.5

Defining Injection Properties

Once you have created an injection (using the Injections panel, as described in Section 19.9.4), you will use the Set Injection Properties panel (Figure 19.9.5) to define the injection properties. (Remember that this panel will open when you create a new injection, or when you select an existing injection and click on the Set... button in the Injections panel.) The procedure for defining an injection is as follows: 1. If you want to change the name of the injection from its default name, enter a new one in the Injection Name field. This is recommended if you are defining a large number of injections so you can easily distinguish them. When assigning names to your injections, keep in mind the selection shortcut described in Section 19.9.4. 2. Choose the type of injection in the Injection Type drop-down list. The ten choices (single, group, cone, surface, plain-orifice-atomizer, pressure-swirl-atomizer, air-blast-atomizer, flat-fan-atomizer, effervescent-atomizer, and file) are described in Section 19.9.2. Note that if you select any of the atomizer models, you will also need to set the Viscosity and Droplet Surface Tension in the Materials panel.

!

If you are using sliding or moving/deforming meshes in your simulation, you should not use surface injections because they are not compatible with moving meshes.

c Fluent Inc. December 3, 2001

19-103

Discrete Phase Models

Figure 19.9.5: The Set Injection Properties Panel

19-104

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

3. If you are defining a single injection, go to the next step. For a group, cone, or any of the atomizer injections, set the Number of Particle Streams in the group, spray cone, or atomizer. If you are defining a surface injection, choose the surface(s) from which the particles will be released in the Release From Surfaces list. If you are reading the injection from a file, click on the File... button at the bottom of the Set Injection Properties panel and specify the file to be read in the resulting Select File dialog box. The parameters in the injection file must be in SI units. 4. Select Inert, Droplet, or Combusting as the Particle Type. The available types are described in Section 19.9.3. 5. Choose the material for the particle(s) in the Material drop-down list. If this is the first time you have created a particle of this type, you can choose from all of the materials of this type defined in the database. If you have already created a particle of this type, the only available material will be the material you selected for that particle. You can define additional materials by copying them from the database or creating them from scratch, as discussed in Section 19.11.2 and described in detail in Section 7.1.2. 6. If you are defining a group or surface injection and you want to change from the default linear (for group injections) or uniform (for surface injections) interpolation method used to determine the size of the particles, select rosin-rammler or rosin-rammler-logarithmic in the Diameter Distribution drop-down list. The Rosin-Rammler method for determining the range of diameters for a group injection is described in Section 19.9.7. 7. If you have created a customized particle law using user-defined functions, turn on the Custom option under Laws and specify the appropriate laws as described in Section 19.9.16. 8. If your particle type is Inert, go to the next step. If you are defining Droplet particles, select the gas phase species created by the vaporization and boiling laws (Laws 2 and 3) in the Evaporating Species drop-down list.

c Fluent Inc. December 3, 2001

19-105

Discrete Phase Models

If you are defining Combusting particles, select the gas phase species created by the devolatilization law (Law 4) in the Devolatilizing Species drop-down list, the gas phase species that participates in the surface char combustion reaction (Law 5) in the Oxidizing Species list, and the gas phase species created by the surface char combustion reaction (Law 5) in the Product Species list. Note that if the Combustion Model for the selected combusting particle material (in the Materials panel) is the multiple-surface-reaction model, then the Oxidizing Species and Product Species lists will be disabled because the reaction stoichiometry has been defined in the mixture material. 9. Click the Point Properties tab (the default), and specify the point properties (position, velocity, diameter, temperature, and—if appropriate—mass flow rate and any atomizer-related parameters) as described for each injection type in Sections 19.9.6–19.9.14. 10. If the flow is turbulent and you wish to include the effects of turbulence on the particle dispersion, click the Turbulent Dispersion tab, turn on the Stochastic Model and/or the Cloud Model, and set the related parameters as described in Section 19.9.15. 11. If your combusting particle includes an evaporating material, click the Wet Combustion tab, select the Wet Combustion option, and then select the material that is evaporating/boiling from the particle before devolatilization begins in the Liquid Material drop-down list. You should also set the volume fraction of the liquid present in the particle by entering the value of the Liquid Fraction. Finally, select the gas phase species created by the evaporating and boiling laws in the Evaporating Species drop-down list in the top part of the panel. 12. If you want to use a user-defined function to initialize the injection properties, click the UDF tab to access the UDF inputs. You can select an Initialization function under User-Defined Functions to modify injection properties at the time the particles are injected into the domain. This allows the position and/or properties of the injection to be set as a function of flow conditions. See the separate UDF Manual for information about user-defined functions. 19-106

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

19.9.6

Point Properties for Single Injections

For a single injection, you will define the following initial conditions for the particle stream under the Point Properties heading (in the Set Injection Properties panel): • Position: Set the x, y, and z positions of the injected stream along the Cartesian axes of the problem geometry in the X-, Y-, and Z-Position fields. (Z-Position will appear only for 3D problems.) • Velocity: Set the x, y, and z components of the stream’s initial velocity in the X-, Y-, and Z-Velocity fields. (Z-Velocity will appear only for 3D problems.) • Diameter: Set the initial diameter of the injected particle stream in the Diameter field. • Temperature: Set the initial (absolute) temperature of the injected particle stream in the Temperature field. • Mass flow rate: For coupled phase calculations (see Section 19.12), set the mass of particles per unit time that follows the trajectory defined by the injection in the Flow Rate field. Note that in axisymmetric problems the mass flow rate is defined per 2π radians and in 2D problems per unit meter depth (regardless of the reference value for length). • Duration of injection: For unsteady particle tracking (see Section 19.8), set the starting and ending time for the injection in the Start Time and Stop Time fields. 19.9.7

Point Properties for Group Injections

For group injections, you will define the properties described in Section 19.9.6 for single injections for the First Point and Last Point in the group. That is, you will define a range of values, φ1 through φN , for each initial condition φ by setting values for φ1 and φN . FLUENT assigns a value of φ to the ith injection in the group using a linear variation between the first and last values for φ:

c Fluent Inc. December 3, 2001

19-107

Discrete Phase Models

φi = φ1 +

φN − φ1 (i − 1) N −1

(19.9-1)

Thus, for example, if your group consists of 5 particle streams and you define a range for the initial x location from 0.2 to 0.6 meters, the initial x location of each stream is as follows: • Stream 1: x = 0.2 meters • Stream 2: x = 0.3 meters • Stream 3: x = 0.4 meters • Stream 4: x = 0.5 meters • Stream 5: x = 0.6 meters

! In general, you should supply a range for only one of the initial conditions in a given group—leaving all other conditions fixed while a single condition varies among the stream numbers of the group. Otherwise you may find, for example, that your simultaneous inputs of a spatial distribution and a size distribution have placed the small droplets at the beginning of the spatial range and the large droplets at the end of the spatial range. Note that you can use a different method for defining the size distribution of the particles, as discussed below. Using the Rosin-Rammler Diameter Distribution Method By default, you will define the size distribution of particles by inputting a diameter for the first and last points and using the linear equation (19.9-1) to vary the diameter of each particle stream in the group. When you want a different mass flow rate for each particle/droplet size, however, the linear variation may not yield the distribution you need. Your particle size distribution may be defined most easily by fitting the size distribution data to the Rosin-Rammler equation. In this approach, the complete range of particle sizes is divided into a set of discrete size ranges,

19-108

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

each to be defined by a single stream that is part of the group. Assume, for example, that the particle size data obeys the following distribution: Diameter Range (µm ) 0–70 70–100 100–120 120–150 150–180 180–200

Mass Fraction in Range 0.05 0.10 0.35 0.30 0.15 0.05

The Rosin-Rammler distribution function is based on the assumption that an exponential relationship exists between the droplet diameter, d, and the mass fraction of droplets with diameter greater than d, Yd : Yd = e−(d/d)

n

(19.9-2)

FLUENT refers to the quantity d in Equation 19.9-2 as the Mean Diameter and to n as the Spread Parameter. These parameters are input by you (in the Set Injection Properties panel under the First Point heading) to define the Rosin-Rammler size distribution. To solve for these parameters, you must fit your particle size data to the Rosin-Rammler exponential equation. To determine these inputs, first recast the given droplet size data in terms of the Rosin-Rammler format. For the example data provided above, this yields the following pairs of d and Yd :

Diameter, d (µm) 70 100 120 150 180 200

c Fluent Inc. December 3, 2001

Mass Fraction with Diameter Greater than d, Yd 0.95 0.85 0.50 0.20 0.05 (0.00)

19-109

Discrete Phase Models

1.0 0.9 0.8

Mass Fraction > d, Yd

0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 50

70 90 110 130 150 170 190 210 230 250

Diameter, d ( µm)

Figure 19.9.6: Example of Cumulative Size Distribution of Particles

19-110

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

A plot of Yd vs. d is shown in Figure 19.9.6. Next, derive values of d and n such that the data in Figure 19.9.6 fit Equation 19.9-2. The value for d is obtained by noting that this is the value of d at which Yd = e−1 ≈ 0.368. From Figure 19.9.6, you can estimate that this occurs for d ≈ 131 µm. The numerical value for n is given by n=

ln(− ln Yd ) 



ln d/d By substituting the given data pairs for Yd and d/d into this equation, you can obtain values for n and find an average. Doing so yields an average value of n = 4.52 for the example data above. The resulting RosinRammler curve fit is compared to the example data in Figure 19.9.7. You can input values for Yd and n, as well as the diameter range of the data and the total mass flow rate for the combined individual size ranges, using the Set Injection Properties panel. A second Rosin-Rammler distribution is also available based on the natural logarithm of the particle diameter. If in your case, the smallerdiameter particles in a Rosin-Rammler distribution have higher mass flows in comparison with the larger-diameter particles, you may want better resolution of the smaller-diameter particle streams, or “bins”. You can therefore choose to have the diameter increments in the RosinRammler distribution done uniformly by ln d. In the standard Rosin-Rammler distribution, a particle injection may have a diameter range of 1 to 200 µm. In the logarithmic Rosin-Rammler distribution, the same diameter range would be converted to a range of ln 1 to ln 200, or about 0 to 5.3. In this way, the mass flow in one bin would be less-heavily skewed as compared to the other bins. When a Rosin-Rammler size distribution is being defined for the group of streams, you should define (in addition to the initial velocity, position, and temperature) the following parameters, which appear under the heading for the First Point:

c Fluent Inc. December 3, 2001

19-111

Discrete Phase Models

1.0 0.9 0.8

Mass Fraction > d, Yd

0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 50

70 90 110 130 150 170 190 210 230 250

Diameter, d ( µm)

Figure 19.9.7: Rosin-Rammler Curve Fit for the Example Particle Size Data

19-112

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

• Total Flow Rate: the total mass flow rate of the N streams in the group. Note that in axisymmetric problems this mass flow rate is defined per 2π radians and in 2D problems per unit meter depth. • Min. Diameter: the smallest diameter to be considered in the size distribution. • Max. Diameter: the largest diameter to be considered in the size distribution. • Mean Diameter: the size parameter, d, in the Rosin-Rammler equation (19.9-2). • Spread Parameter: the exponential parameter, n, in Equation 19.9-2. 19.9.8

Point Properties for Cone Injections

In 3D problems, you can conveniently define a hollow spray cone of particle streams using the cone injection type. For this injection type, the inputs are as follows: • Position: Set the coordinates of the origin of the spray cone in the X-, Y-, and Z-Position fields. • Diameter: Set the diameter of the particles in the stream in the Diameter field. • Temperature: Set the temperature of the streams in the Temperature field. • Axis: Set the x, y, and z components of the vector defining the cone’s axis in the X-Axis, Y-Axis, and Z-Axis fields. • Velocity: Set the velocity magnitude of the particle streams that will be oriented along the specified spray cone angle in the Velocity Mag. field. • Cone angle: Set the included half-angle, θ, of the hollow spray cone in the Cone Angle field, as shown in Figure 19.9.8.

c Fluent Inc. December 3, 2001

19-113

Discrete Phase Models

• Radius: A non-zero inner radius can be specified to model injectors that do not emanate from a single point. Set the radius r (defined as shown in Figure 19.9.8) in the Radius field. The particles will be distributed about the axis with the specified radius.

θ r origin

axis

Figure 19.9.8: Cone Half Angle and Radius

• Swirl fraction: Set the fraction of the velocity magnitude to go into the swirling component of the flow in the Swirl Fraction field. The direction of the swirl component is defined using the right-hand rule about the axis (a negative value for the swirl fraction can be used to reverse the swirl direction). • Mass flow rate: For coupled calculations, set the total mass flow rate for the streams in the spray cone in the Total Flow Rate field. Note that you may want to define multiple spray cones emanating from the same initial location in order to include a size distribution of the spray or to include a range of cone angles. 19.9.9

Point Properties for Surface Injections

For surface injections, you will define all the properties described in Section 19.9.6 for single injections except for the initial position of the particle streams. The initial positions of the particles will be the location

19-114

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

of the data points on the specified surface(s). Note that you will set the Total Flow Rate of all particles released from the surface (required for coupled calculations only). If you want, you can scale the individual mass flow rates of the particles by the ratio of the area of the face they are released from to the total area of the surface. To scale the mass flow rates, select the Scale Flow Rate By Face Area option under Point Properties. Note that many surfaces have non-uniform distributions of points. If you want to generate a uniform spatial distribution of particle streams released from a surface in 3D, you can create a bounded plane surface with a uniform distribution using the Plane Surface panel, as described in Section 24.6. In 2D, you can create a rake using the Line/Rake Surface panel, as described in Section 24.5. A non-uniform size distribution can be used for surface injections, as described below. Using the Rosin-Rammler Diameter Distribution Method The Rosin-Rammler size distributions described in Section 19.9.7 for group injections is also available for surface injections. If you select one of the Rosin-Rammler distributions, you will need to specify the following parameters under Point Properties, in addition to the initial velocity, temperature, and total flow rate: • Min. Diameter: the smallest diameter to be considered in the size distribution. • Max. Diameter: the largest diameter to be considered in the size distribution. • Mean Diameter: the size parameter, d, in the Rosin-Rammler equation (Equation 19.9-2). • Spread Parameter: the exponential parameter, n, in Equation 19.9-2. • Number of Diameters: the number of diameters in each distribution (i.e., the number of different diameters in the stream injected from each face of the surface).

c Fluent Inc. December 3, 2001

19-115

Discrete Phase Models

FLUENT will inject streams of particles from each face on the surface, with diameters defined by the Rosin-Rammler distribution function. The total number of injection streams tracked for the surface injection will be equal to the number of diameters in each distribution (Number of Diameters) multiplied by the number of faces on the surface. 19.9.10

Point Properties for Plain-Orifice Atomizer Injections

For a plain-orifice atomizer injection, you will define the following initial conditions under Point Properties: • Position: Set the x, y, and z positions of the injected stream along the Cartesian axes of the problem geometry in the X-Position, YPosition, and Z-Position fields. (Z-Position will appear only for 3D problems. • Axis (3D only): Set the x, y, and z components of the vector defining the axis of the orifice in the X-Axis, Y-Axis, and Z-Axis fields. • Temperature: Set the temperature of the streams in the Temperature field. • Mass flow rate: Set the mass flow rate for the streams in the atomizer in the Flow Rate field. • Duration of injection: For unsteady particle tracking (see Section 19.8), set the starting and ending time for the injection in the Start Time and Stop Time fields. • Vapor pressure: Set the vapor pressure governing the flow through the internal orifice (pv in Table 19.4.1) in the Vapor Pressure field. • Diameter: Set the diameter of the orifice in the Injector Inner Diam. field (d in Table 19.4.1). • Orifice length: Set the length of the orifice in the Orifice Length field (L in Table 19.4.1).

19-116

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

• Radius of curvature: Set the radius of curvature of the inlet corner in the Corner Radius of Curv. field (r in Table 19.4.1). • Nozzle parameter: Set the constant for the spray angle correlation in the Constant A field (CA in Equation 19.4-16). • Azimuthal angles: For 3D sectors, set the Azimuthal Start Angle and Azimuthal Stop Angle. See Section 19.4.1 for details about how these inputs are used. 19.9.11

Point Properties for Pressure-Swirl Atomizer Injections

For a pressure-swirl atomizer injection, you will specify some of the same properties as for a plain-orifice atomizer. In addition to the position, axis (if 3D), temperature, mass flow rate, duration of injection (if unsteady), injector inner diameter, and azimuthal angles (if relevant) described in Section 19.9.10, you will need to specify the following parameters under Point Properties: • Spray angle: Set the value of the spray angle of the injected stream in the Spray Half Angle field (θ in Equation 19.4-25). • Pressure: Set the pressure upstream of the injection in the Upstream Pressure field (p1 in Table 19.4.1). • Sheet breakup: Set the value of the empirical constant that determines the length of the ligaments that are formed after sheet breakup in the Sheet Constant field (ln( ηη0b ) in Equation 19.4-30). • Ligament diameter: For short waves, set the proportionality constant that linearly relates the ligament diameter, dL , to the wavelength that breaks up the sheet in the Ligament Constant field (see Equations 19.4-31–19.4-33). See Section 19.4.1 for details about how these inputs are used.

c Fluent Inc. December 3, 2001

19-117

Discrete Phase Models

19.9.12

Point Properties for Air-Blast/Air-Assist Atomizer Injections

For an air-blast/air-assist atomizer, you will specify some of the same properties as for a plain-orifice atomizer. In addition to the position, axis (if 3D), temperature, mass flow rate, duration of injection (if unsteady), injector inner diameter, and azimuthal angles (if relevant) described in Section 19.9.10, you will need to specify the following parameters under Point Properties: • Outer diameter: Set the outer diameter of the injector in the Injector Outer Diam. field. This value is used in conjunction with the Injector Inner Diam. to set the thickness of the liquid sheet (t in Equation 19.4-22). • Spray angle: Set the initial trajectory of the film as it leaves the end of the orifice in the Spray Half Angle field (θ in Equation 19.4-25). • Relative velocity: Set the maximum relative velocity that is produced by the sheet and air in the Relative Velocity field. • Sheet breakup: Set the value of the empirical constant that determines the length of the ligaments that are formed after sheet breakup in the Sheet Constant field (ln( ηη0b ) in Equation 19.4-30). • Ligament diameter: For short waves, set the proportionality constant that linearly relates the ligament diameter, dL , to the wavelength that breaks up the sheet in the Ligament Constant field (see Equations 19.4-31–19.4-33). See Section 19.4.1 for details about how these inputs are used. 19.9.13

Point Properties for Flat-Fan Atomizer Injections

The flat-fan atomizer model is available only for 3D models. For this type of injection, you will define the following initial conditions under Point Properties:

19-118

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

• Arc position: Set the coordinates of the center point of the arc from which the fan originates in the X-Center, Y-Center, and Z-Center fields (see Figure 19.4.6). • Virtual position: Set the coordinates of the virtual origin of the fan in the X-Virtual Origin, Y-Virtual Origin, and Z-Virtual Origin fields. This point is the intersection of the lines that mark the sides of the fan (see Figure 19.4.6). • Normal vector: Set the direction that is normal to the fan in the XFan Normal Vector, Y-Fan Normal Vector, and Z-Fan Normal Vector fields. • Temperature: Set the temperature of the streams in the Temperature field. • Mass flow rate: Set the mass flow rate for the streams in the atomizer in the Flow Rate field. • Duration of injection: For unsteady particle tracking (see Section 19.8), set the starting and ending time for the injection in the Start Time and Stop Time fields. • Spray half angle: Set the initial half angle of the drops as they leave the end of the orifice in the Spray Half Angle field. • Orifice width: Set the width of the orifice (in the normal direction) in the Orifice Width field. • Sheet breakup: Set the value of the empirical constant that determines the length of the ligaments that are formed after sheet breakup in the Flat Fan Sheet Constant field (see Equation 19.4-30). See Section 19.4.1 for details about how these inputs are used. 19.9.14

Point Properties for Effervescent Atomizer Injections

For an effervescent atomizer injection, you will specify some of the same properties as for a plain-orifice atomizer. In addition to the position, axis

c Fluent Inc. December 3, 2001

19-119

Discrete Phase Models

(if 3D), temperature, mass flow rate (including both flashing and nonflashing components), duration of injection (if unsteady), vapor pressure, injector inner diameter, and azimuthal angles (if relevant) described in Section 19.9.10, you will need to specify the following parameters under Point Properties: • Mixture quality: Set the mass fraction of the injected mixture that vaporizes in the Mixture Quality field (x in Equation 19.4-38). • Saturation temperature: Set the saturation temperature of the volatile substance in the Saturation Temp. field. • Droplet dispersion: Set the parameter that controls the spatial dispersion of the droplet sizes in the Dispersion Constant field (Ceff in Equation 19.4-38). • Spray angle: Set the initial trajectory of the film as it leaves the end of the orifice in the Maximum Half Angle field. See Section 19.4.1 for details about how these inputs are used. 19.9.15

Modeling Turbulent Dispersion of Particles

As mentioned in Section 19.9.5, you can choose stochastic tracking and/or cloud tracking as the method for modeling turbulent dispersion of particles. Stochastic Tracking For turbulent flows, if you choose to use the stochastic tracking technique, you must enable it and specify the “number of tries”. Stochastic tracking includes the effect of turbulent velocity fluctuations on the particle trajectories using the DRW model described in Section 19.2.2. 1. Click the Turbulent Dispersion tab in the Set Injection Properties panel. 2. Enable stochastic tracking by turning on the Stochastic Model under Stochastic Tracking. 19-120

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

3. Specify the Number Of Tries: • An input of zero tells FLUENT to compute the particle trajectory based on the mean continuous phase velocity field (Equation 19.2-1), ignoring the effects of turbulence on the particle trajectories. • An input of 1 or greater tells FLUENT to include turbulent velocity fluctuations in the particle force balance as in Equation 19.2-20. The trajectory is computed more than once if your input exceeds 1: two trajectory calculations are performed if you input 2, three trajectory calculations are performed if you input 3, etc. Each trajectory calculation includes a new stochastic representation of the turbulent contributions to the trajectory equation. When a sufficient number of tries is requested, the trajectories computed will include a statistical representation of the spread of the particle stream due to turbulence. Note that for unsteady particle tracking, the Number of Tries is set to 1 if Stochastic Tracking is enabled. If you want the characteristic lifetime of the eddy to be random (Equation 19.2-37), enable the Random Eddy Lifetime option. You will generally not need to change the Time Scale Constant (CL in Equation 19.2-28) from its default value of 0.15, unless you are using the Reynolds Stress turbulence model (RSM), in which case a value of 0.3 is recommended. Figure 19.9.9 illustrates a discrete phase trajectory calculation computed via the “mean” tracking (number of tries = 0) and Figure 19.9.10 illustrates the “stochastic” tracking (number of tries > 1) option. When multiple stochastic trajectory calculations are performed, the momentum and mass defined for the injection are divided evenly among the multiple particle/droplet tracks, and are thus spread out in terms of the interphase momentum, heat, and mass transfer calculations. Including turbulent dispersion in your model can thus have a significant impact on the effect of the particles on the continuous phase when coupled calculations are performed.

c Fluent Inc. December 3, 2001

19-121

Discrete Phase Models

3.04e-02 2.84e-02 2.63e-02 2.43e-02 2.23e-02 2.03e-02 1.82e-02 1.62e-02 1.42e-02 1.22e-02 1.01e-02 8.10e-03 6.08e-03 4.05e-03 2.03e-03 0.00e+00

Particle Traces Colored by Particle Time (s)

Figure 19.9.9: Mean Trajectory in a Turbulent Flow 3.00e-02 2.80e-02 2.60e-02 2.40e-02 2.20e-02 2.00e-02 1.80e-02 1.60e-02 1.40e-02 1.20e-02 1.00e-02 8.00e-03 6.00e-03 4.00e-03 2.00e-03 0.00e+00

Particle Traces Colored by Particle Time (s)

Figure 19.9.10: Stochastic Trajectories in a Turbulent Flow

19-122

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

Cloud Tracking For turbulent flows, you can also include the effects of turbulent dispersion on the injection. When cloud tracking is used, the trajectory will be tracked as a cloud of particles about a mean trajectory, as described in Section 19.2.2. 1. Click the Turbulent Dispersion tab in the Set Injection Properties panel. 2. Enable cloud tracking by turning on the Cloud Model under Cloud Tracking. 3. Specify the minimum and maximum cloud diameters. Particles enter the domain with an initial cloud diameter equal to the Min. Cloud Diameter. The particle cloud’s maximum allowed diameter is specified by the Max. Cloud Diameter. You may want to restrict the Max. Cloud Diameter to a relevant length scale for the problem to improve computational efficiency in complex domains where the mean trajectory may become stuck in recirculation regions. 19.9.16

Custom Particle Laws

If the standard FLUENT laws, Laws 1 through 6, do not adequately describe the physics of your discrete phase model, you can modify them by creating custom laws with user-defined functions. See the separate UDF Manual for information about user-defined functions. You can also create custom laws by using a subset of the existing FLUENT laws (e.g., Laws 1, 2, and 4), or a combination of existing laws and user-defined functions. Once you have defined and loaded your user-defined function(s), you can create a custom law by enabling the Custom option under Laws in the Set Injection Properties panel. This will open the Custom Laws panel. In the drop-down list to the left of each of the six particle laws, you can select the appropriate particle law for your custom law. Each list

c Fluent Inc. December 3, 2001

19-123

Discrete Phase Models

Figure 19.9.11: The Custom Laws Panel

contains the available options that can be chosen (the standard laws plus any user-defined functions you have loaded). There is a seventh drop-down list in the Custom Laws panel labeled Switching. You may wish to have FLUENT vary the laws used depending on conditions in the model. You can customize the way FLUENT switches between laws by selecting a user-defined function from this drop-down list. An example of when you might want to use a custom law might be to replace the standard devolatilization law with a specialized devolatilization law that more accurately describes some unique aspects of your model. After creating and loading a user-defined function that details the physics of your devolatilization law, you would visit the Custom Laws panel and replace the standard devolatilization law (Law 2) with your user-defined function.

19-124

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

19.9.17

Defining Properties Common to More Than One Injection

If you have a number of injections for which you want to set the same properties, FLUENT provides a shortcut so that you do not need to visit the Set Injection Properties panel for each injection to make the same changes. As described in Section 19.9.5, if you select more than one injection in the Injections panel, clicking the Set... button will open the Set Multiple Injection Properties panel (Figure 19.9.12) instead of the Set Injection Properties panel. Depending on the type of injections you have selected (single, group, atomizers, etc.), there will be different categories of properties listed under Injections Setup. The names of these categories correspond to the headings within the Set Injection Properties panel (e.g., Particle Type and Stochastic Tracking). Only those categories that are appropriate for all of your selected injections (which are shown in the Injections list) will be listed. If all of these injections are of the same type, more categories of properties will be available for you to modify. If the injections are of different types, you will have fewer categories to select from. Modifying Properties To modify a property, follow these steps: 1. Select the appropriate category in the Injections Setup list. For example, if you want to set the same flow rate for all of the selected injections, select Point Properties. The panel will expand to show the properties that appear under that heading in the Set Injection Properties panel. 2. Set the property (or properties) to be modified, as described below. 3. Click Apply. FLUENT will report the change in the console window.

!

You must click Apply to save the property settings within each category. If, for example, you want to modify the flow rate and the stochastic tracking parameters, you will need to select Point

c Fluent Inc. December 3, 2001

19-125

Discrete Phase Models

Figure 19.9.12: The Set Multiple Injection Properties Panel

19-126

c Fluent Inc. December 3, 2001

19.9 Setting Initial Conditions for the Discrete Phase

Properties in the Injections Setup list, specify the flow rate, and click Apply. You would then repeat the process for the stochastic tracking parameters, clicking Apply again when you are done. There are two types of properties that can be modified using the Set Multiple Injection Properties panel. The first type involves one of the following actions: • selecting a value from a drop-down list • choosing an option using a radio button The second type involves one of the following actions: • entering a value in a field • turning an option on or off Setting the first type of property works the same way as in the Set Injection Properties panel. For example, if you select Particle Type in the Injections Setup list, the panel will expand to show the portion of the Set Injection Properties panel where you choose the particle type. You can simply choose the desired type and click Apply. Setting the second type of property requires an additional step. If you select a category in the Injections Setup list that contains this type of property, the expanded portion of the panel will look like the corresponding part of the Set Injection Properties panel, with the addition of Modify check buttons (see Figure 19.9.12). To change one of the properties, first turn on the Modify check button to its left, and then specify the desired status or value. For example, if you would like to enable stochastic tracking, first turn on the Modify check button to the left of Stochastic Model. This will make the property active so you can modify its status. Then, under Property, turn on the Stochastic Model check button. (Be sure to click Apply when you are done setting stochastic tracking parameters.)

c Fluent Inc. December 3, 2001

19-127

Discrete Phase Models

If you would like to change the value of Number of Tries, select the Modify check button to its left to make it active, and then enter the new value in the field. Make sure you click Apply when you have finished modifying the stochastic tracking properties.

! The setting for a property that has not been activated with the Modify check button is not relevant, because it will not be applied to the selected injections when you click Apply. After you turn on Modify for a particular property, clicking Apply will modify that property for all of the selected injections, so make sure that you have the settings the way that you want them before you do this. If you make a mistake, you will have to return to the Set Injection Properties panel for each injection to fix the incorrect setting, if it is not possible to do so in the Set Multiple Injection Properties panel. Modifying Properties Common to a Subset of Selected Injections Note that it is possible to change a property that is relevant for only a subset of the selected injections. For example, if some of the selected injections are using stochastic tracking and some are not, enabling the Random Eddy Lifetime option and clicking Apply will turn this option on only for those injections that are using stochastic tracking. The other injections will be unaffected.

19-128

c Fluent Inc. December 3, 2001

19.10 Setting Boundary Conditions for the Discrete Phase

19.10

Setting Boundary Conditions for the Discrete Phase

When a particle reaches a physical boundary (e.g., a wall or inlet boundary) in your model, FLUENT applies a discrete phase boundary condition to determine the fate of the trajectory at that boundary. The boundary condition, or trajectory fate, can be defined separately for each zone in your FLUENT model. 19.10.1

Discrete Phase Boundary Condition Types

The available boundary conditions, as noted in Section 19.2, include the following: • “reflect” rebounds the particle off the boundary in question with a change in its momentum as defined by the coefficient of restitution. (See Figure 19.10.1.) V2,n coefficient of = V restitution 1,n

θ1

θ 2

Figure 19.10.1: “Reflect” Boundary Condition for the Discrete Phase The normal coefficient of restitution defines the amount of momentum in the direction normal to the wall that is retained by the particle after the collision with the boundary [236]: en =

v2,n v1,n

(19.10-1)

where vn is the particle velocity normal to the wall and the subscripts 1 and 2 refer to before and after collision, respectively. Simi-

c Fluent Inc. December 3, 2001

19-129

Discrete Phase Models

larly, the tangential coefficient of restitution, et , defines the amount of momentum in the direction tangential to the wall that is retained by the particle. A normal or tangential coefficient of restitution equal to 1.0 implies that the particle retains all of its normal or tangential momentum after the rebound (an elastic collision). A normal or tangential coefficient of restitution equal to 0.0 implies that the particle retains none of its normal or tangential momentum after the rebound. Non-constant coefficients of restitution can be specified for wall zones with the “reflect” type boundary condition. The coefficients are set as a function of the impact angle, θ1 , in Figure 19.10.1. Note that the default setting for both coefficients of restitution is a constant value of 1.0 (all normal and tangential momentum retained). • “trap” terminates the trajectory calculations and records the fate of the particle as “trapped”. In the case of evaporating droplets, their entire mass instantaneously passes into the vapor phase and enters the cell adjacent to the boundary. See Figure 19.10.2. In the case of combusting particles, the remaining volatile mass is passed into the vapor phase.

volatile fraction flashes to vapor θ1

Figure 19.10.2: “Trap” Boundary Condition for the Discrete Phase • “escape” reports the particle as having “escaped” when it encounters the boundary in question. Trajectory calculations are terminated. See Figure 19.10.3. 19-130

c Fluent Inc. December 3, 2001

19.10 Setting Boundary Conditions for the Discrete Phase

particle vanishes

Figure 19.10.3: “Escape” Boundary Condition for the Discrete Phase

• “interior” means that the particles will pass through the internal boundary. This option is available only for internal boundary zones, such as a radiator or a porous jump. Because you can stipulate any of these conditions at flow boundaries, it is possible to incorporate mixed discrete phase boundary conditions in your FLUENT model. Default Discrete Phase Boundary Conditions FLUENT assumes the following boundary conditions: • “reflect” at wall, symmetry, and axis boundaries, with both coefficients of restitution equal to 1.0 • “escape” at all flow boundaries (pressure and velocity inlets, pressure outlets, etc.) • “interior” at all internal boundaries (radiator, porous jump, etc.) The coefficient of restitution can be modified only for wall boundaries.

c Fluent Inc. December 3, 2001

19-131

Discrete Phase Models

19.10.2

Inputs for Discrete Phase Boundary Conditions

Discrete phase boundary conditions can be set for boundaries in the panels opened from the Boundary Conditions panel. When one or more injections have been defined, inputs for the discrete phase will appear in the panels (e.g., Figure 19.10.4).

Figure 19.10.4: Discrete Phase Boundary Conditions in the Wall Panel

Select reflect, trap, or escape in the Boundary Cond. Type drop-down list under Discrete Phase Model Conditions. (In the Walls panel, you will need to click on the DPM tab to access the Discrete Phase Model Conditions.) These conditions are described in Section 19.10.1. You can also select a user-defined function in this list. For internal boundary

19-132

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

zones, such as a radiator or a porous jump, you can also choose an interior boundary condition. The interior condition means that the particles will pass through the internal boundary. If you select the reflect type at a wall (only), you can define a constant, polynomial, piecewise-linear, or piecewise-polynomial function for the Normal and Tangent coefficients of restitution under Discrete Phase Reflection Coefficients. See Section 19.10.1 for details about the boundary condition types and the coefficients of restitution. The panels for defining the polynomial, piecewise-linear, and piecewise-polynomial functions are the same as those used for defining temperature-dependent properties. See Section 7.1.3 for details. If the Erosion/Accretion option is selected in the Discrete Phase Model panel, the erosion rate expression must be specified at the walls. The erosion rate is defined in Equation 19.2-62 as a product of the mass flux and specified functions for the particle diameter, impact angle, and velocity exponent. Under Erosion Model in the Wall panel, you can define a constant, polynomial, piecewise-linear, or piecewise-polynomial function for the Impact Angle Function, Diameter Function, and Velocity Exponent Function (f (α), C(dp ), and b(v) in Equation 19.2-62). See Section 19.7.6 for a detailed description of these functions and Section 7.1.3 for details about using the panels for defining polynomial, piecewise-linear, and piecewise-polynomial functions.

19.11

Setting Material Properties for the Discrete Phase

In order to apply the physical models described in earlier sections to the prediction of the discrete phase trajectories and heat/mass transfer, FLUENT requires many physical property inputs. 19.11.1

Summary of Property Inputs

Tables 19.11.1–19.11.4 summarize which of these property inputs are used for each particle type and in which of the equations for heat and mass transfer each property input is used. Detailed descriptions of each input are provided in Section 19.11.2.

c Fluent Inc. December 3, 2001

19-133

Discrete Phase Models

Table 19.11.1: Property Inputs for Inert Particles Property Symbol density ρp in Eq. 19.2-1 specific heat cp in Eq. 19.3-3 particle emissivity p in Eq. 19.3-3 particle scattering factor f in Eq. 11.3-20 thermophoretic coefficient DT,p in Eq. 19.2-14

Table 19.11.2: Property Inputs for Droplet Particles Properties Symbol density ρp in Eq. 19.2-1 specific heat cp in Eq. 19.3-17 thermal conductivity kp in Eq. 19.2-15 viscosity µ in Eq. 19.4-48 latent heat hfg in Eq. 19.3-17 vaporization temperature Tvap in Eq. 19.3-10 boiling point Tbp in Eq. 19.3-10, 19.3-18 volatile component fraction fv0 in Eq. 19.3-11, 19.3-19 binary diffusivity Di,m in Eq. 19.3-15 saturation vapor pressure psat (T ) in Eq. 19.3-13 heat of pyrolysis hpyrol in Eq. 19.5-2 droplet surface tension σ in Eq. 19.4-18, 19.4-47 particle emissivity p in Eq. 19.3-17, 19.3-23 particle scattering factor f in Eq. 11.3-20 thermophoretic coefficient DT,p in Eq. 19.2-14

19-134

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

Table 19.11.3: Property Inputs for Combusting Particles (Laws 1–4) Properties density specific heat latent heat vaporization temperature volatile component fraction swelling coefficient burnout stoichiometric ratio combustible fraction heat of reaction for burnout fraction of reaction heat given to solid particle emissivity particle scattering factor thermophoretic coefficient devolatilization model –law 4, constant rate constant –law 4, single rate pre-exponential factor activation energy –law 4, two rates pre-exponential factors activation energies weighting factors –law 4, CPD initial fraction of bridges in coal lattice initial fraction of char bridges lattice coordination number cluster molecular weight side chain molecular weight

c Fluent Inc. December 3, 2001

Symbol ρp in Eq. 19.2-1 cp in Eq. 19.3-3 hfg in Eq. 19.5-2 Tvap = Tbp in Eq. 19.3-24 fv0 in Eq. 19.3-25 Csw in Eq. 19.3-57 Sb in Eq. 19.3-64 fcomb in Eq. 19.3-63 Hreac in Eq. 19.3-64 19.3-78 fh in Eq. 19.3-78 p in Eq. 19.3-58, 19.3-78 f in Eq. 11.3-20 DT,p in Eq. 19.2-14

A0 in Eq. 19.3-26 A1 in Eq. 19.3-27 E in Eq. 19.3-27 A1 , A2 in Eq. 19.3-30, 19.3-31 E1 , E2 in Eq. 19.3-30, 19.3-31 α1 , α2 in Eq. 19.3-32 p0 in Eq. 19.3-43 c0 in Eq. 19.3-42 σ + 1 in Eq. 19.3-54 Mw,1 in Eq. 19.3-54 Mw,δ in Eq. 19.3-53

19-135

Discrete Phase Models

Table 19.11.4: Property Inputs for Combusting Particles (Law 5) Properties Symbol combustion model –law 5, diffusion rate binary diffusivity Di,m in Eq. 19.3-65 –law 5, diffusion/kinetic rate mass diffusion limited rate constant C1 in Eq. 19.3-66 kinetics limited rate pre-exp. factor C2 in Eq. 19.3-67 kinetics limited rate activ. energy E in Eq. 19.3-67 –law 5, intrinsic rate mass diffusion limited rate constant C1 in Eq. 19.3-66 kinetics limited rate pre-exp. factor Ai in Eq. 19.3-76 kinetics limited rate activ. energy Ei in Eq. 19.3-76 char porosity θ in Eq. 19.3-73 mean pore radius r p in Eq. 19.3-75 specific internal surface area Ag in Eq. 19.3-70, 19.3-72 tortuosity τ in Eq. 19.3-73 burning mode α in Eq. 19.3-77 –law 5, multiple surface reaction binary diffusivity Di,m in Eq. 19.3-65

19-136

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

19.11.2

Setting Discrete-Phase Physical Properties

The Concept of Discrete-Phase Materials When you create a particle injection and define the initial conditions for the discrete phase (as described in Section 19.9), you choose a particular material as the particle’s material. All particle streams of that material will have the same physical properties. Discrete-phase materials are divided into three categories, corresponding to the three types of particles available. These material types are inertparticle, droplet-particle, and combusting-particle. Each material type will be added to the Material Type list in the Materials panel when an injection of that type of particle is defined (in the Set Injection Properties or Set Multiple Injection Properties panel, as described in Section 19.9). The first time you create an injection of each particle type, you will be able to choose a material from the database, and this will become the default material for that type of particle. That is, if you create another injection of the same type of particle, your selected material will be used for that injection as well. You may choose to modify the predefined properties for your selected particle material, if you want (as described in Section 7.1.2). If you need only one set of properties for each type of particle, you need not define any new materials; you can simply use the same material for all particles.

! If you do not find the material you want in the database, you can select a material that is close to the one you wish to use, and then modify the properties and give the material a new name, as described in Section 7.1.2.

! Note that a discrete-phase material type will not appear in the Material Type list in the Materials panel until you have defined an injection of that type of particles. This means, for example, that you cannot define or modify any combusting-particle materials until you have defined a combusting particle injection (as described in Section 19.9).

c Fluent Inc. December 3, 2001

19-137

Discrete Phase Models

Defining Additional Discrete-Phase Materials In many cases, a single set of physical properties (density, heat capacity, etc.) is appropriate for each type of discrete phase particle considered in a given model. Sometimes, however, a single model may contain two different types of inert, droplet, or combusting particles (e.g., heavy particles and gaseous bubbles or two different types of evaporating liquid droplets). In such cases, it is necessary to assign a different set of properties to the two (or more) different types of particles. This is easily accomplished by defining two or more inert, droplet, or combusting particle materials and using the appropriate one for each particle injection. You can define additional discrete-phase materials either by copying them from the database or by creating them from scratch. See Section 7.1.2 for instructions on using the Materials panel to perform these actions.

! Recall that you must define at least one injection (as described in Section 19.9) containing particles of a certain type before you will be able to define additional materials for that particle type. Description of Properties The properties that appear in the Materials panel vary depending on the particle type (selected in the Set Injection Properties or Set Multiple Injection Properties panel, as described in Sections 19.9.5 and 19.9.17) and the physical models you are using in conjunction with the discrete-phase model. Below, all properties you may need to define for a discrete-phase material are listed. See Tables 19.11.1–19.11.4 to see which properties are defined for each type of particle. Density is the density of the particulate phase in units of mass per unit volume of the discrete phase. This density is the mass density and not the volumetric density. Since certain particles may swell during the trajectory calculations, your input is actually an “initial” density.

19-138

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

Cp is the specific heat, cp , of the particle. The specific heat may be defined as a function of temperature by selecting one of the function types from the drop-down list to the right of Cp. See Section 7.1.3 for details about temperature-dependent properties. Thermal Conductivity is the thermal conductivity of the particle. This input is specified in units of W/m-K in SI units or Btu/ft-h-◦ F in British units and is treated as a constant by FLUENT. Latent Heat is the latent heat of vaporization, hfg , required for phase change from an evaporating liquid droplet (Equation 19.3-17) or for the evolution of volatiles from a combusting particle (Equation 19.3-58). This input is supplied in units of J/kg in SI units or of Btu/lbm in British units and is treated as a constant by FLUENT. Thermophoretic Coefficient is the coefficient DT,p in Equation 19.2-14, and appears when the thermophoretic force (which is described in Section 19.2.1) is included in the trajectory calculation (i.e., when the Thermophoretic Force option is enabled in the Discrete Phase Model panel). The default is the expression developed by Talbot [237] (talbot-diffusion-coeff) and requires no input from you. You can also define the thermophoretic coefficient as a function of temperature by selecting one of the function types from the drop-down list to the right of Thermophoretic Coefficient. See Section 7.1.3 for details about temperature-dependent properties. Vaporization Temperature is the temperature, Tvap , at which the calculation of vaporization from a liquid droplet or devolatilization from a combusting particle is initiated by FLUENT. Until the particle temperature reaches Tvap , the particle is heated via Law 1, Equation 19.3-3. This temperature input represents a modeling decision rather than any physical characteristic of the discrete phase. Boiling Point is the temperature, Tbp , at which the calculation of the boiling rate equation (19.3-20) is initiated by FLUENT. When a droplet particle reaches the boiling point, FLUENT applies Law 3 and assumes that the droplet temperature is constant at Tbp . The boiling point should be defined as the saturated vapor temperature

c Fluent Inc. December 3, 2001

19-139

Discrete Phase Models

at the system pressure that you defined in the Operating Conditions panel. Volatile Component Fraction (fv0 ) is the fraction of a droplet particle that may vaporize via Laws 2 and/or 3 (Sections 19.3.3 and 19.3.4). For combusting particles, it is the fraction of volatiles that may be evolved via Law 4 (Section 19.3.5). Binary Diffusivity is the mass diffusion coefficient, Di,m , used in the vaporization law, Law 2 (Equation 19.3-15). This input is also used to define the mass diffusion of the oxidizing species to the surface of a combusting particle, Di,m , as given in Equation 19.3-65. (Note that the diffusion coefficient inputs that you supply for the continuous phase are not used for the discrete phase.) Saturation Vapor Pressure is the saturated vapor pressure, psat , defined as a function of temperature, which is used in the vaporization law, Law 2 (Equation 19.3-13). The saturated vapor pressure may be defined as a function of temperature by selecting one of the function types from the drop-down list to the right of its name. (See Section 7.1.3 for details about temperature-dependent properties.) In the case of unrealistic inputs, FLUENT restricts the range of Psat to between 0.0 and the operating pressure. Correct input of a realistic vapor pressure curve is essential for accurate results from the vaporization model. Heat of Pyrolysis is the heat of the instantaneous pyrolysis reaction, hpyrol , that the evaporating/boiling species may undergo when released to the continuous phase. This input represents the conversion of the evaporating species to lighter components during the evaporation process. The heat of pyrolysis should be input as a positive number for exothermic reaction and as a negative number for endothermic reaction. The default value of zero implies that the heat of pyrolysis is not considered. This input is used in Equation 19.5-2. Swelling Coefficient is the coefficient Csw in Equation 19.3-57, which governs the swelling of the coal particle during the devolatilization law, Law 4 (Section 19.3.5). A swelling coefficient of unity (the default)

19-140

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

implies that the coal particle stays at constant diameter during the devolatilization process. Burnout Stoichiometric Ratio is the stoichiometric requirement, Sb , for the burnout reaction, Equation 19.3-64, in terms of mass of oxidant per mass of char in the particle. Combustible Fraction is the mass fraction of char, fcomb , in the coal particle, i.e., the fraction of the initial combusting particle that will react in the surface reaction, Law 5 (Equation 19.3-63). Heat of Reaction for Burnout is the heat released by the surface char combustion reaction, Law 5 (Equation 19.3-64). This parameter is input in terms of heat release (e.g., Joules) per unit mass of char consumed in the surface reaction. React. Heat Fraction Absorbed by Solid is the parameter fh (Equation 19.3-78), which controls the distribution of the heat of reaction between the particle and the continuous phase. The default value of zero implies that the entire heat of reaction is released to the continuous phase. Devolatilization Model defines which version of the devolatilization model, Law 4, is being used. If you want to use the default constant rate devolatilization model, Equation 19.3-26, retain the selection of constant in the drop-down list to the right of Devolatilization Model and input the rate constant A0 in the field below the list. You can activate one of the optional devolatilization models (the single kinetic rate, two kinetic rates, or CPD model, as described in Section 19.3.5) by choosing single rate, two-competing-rates, or cpd-model in the drop-down list. When the single kinetic rate model (single-rate) is selected, the Single Rate Devolatilization Model panel will appear and you will enter the Pre-exponential Factor, A1 , and the Activation Energy, E, to be used in Equation 19.3-28 for the computation of the kinetic rate. When the two competing rates model (two-competing-rates) is selected, the Two Competing Rates Model panel will appear and

c Fluent Inc. December 3, 2001

19-141

Discrete Phase Models

you will enter, for the First Rate and the Second Rate, the Preexponential Factor (A1 in Equation 19.3-30 and A2 in Equation 19.3-31), Activation Energy (E1 in Equation 19.3-30 and E2 in Equation 19.3-31), and Weighting Factor (α1 and α2 in Equation 19.3-32). The constants you input are used in Equations 19.3-30 through 19.3-32. When the CPD model (cpd-model) is selected, the CPD Model panel will appear and you will enter the Initial Fraction of Bridges in Coal Lattice (p0 in Equation 19.3-43), Initial Fraction of Char Bridges (c0 in Equation 19.3-42), Lattice Coordination Number (σ + 1 in Equation 19.3-54), Cluster Molecular Weight (Mw,1 in Equation 19.3-54), and Side Chain Molecular Weight (Mw,δ in Equation 19.3-53). Note that the Single Rate Devolatilization Model, Two Competing Rates Model, and CPD Model panels are modal panels, which means that you must tend to them immediately before continuing the property definitions. Combustion Model defines which version of the surface char combustion law (Law 5) is being used. If you want to use the default diffusionlimited rate model, retain the selection of diffusion-limited in the drop-down list to the right of Combustion Model. No additional inputs are necessary, because the binary diffusivity defined above will be used in Equation 19.3-65. To use the kinetics/diffusion-limited rate model for the surface combustion model, select kinetics/diffusion-limited in the drop-down list. The Kinetics/Diffusion Limited Combustion Model panel will appear and you will enter the Mass Diffusion Limited Rate Constant (C1 in Equation 19.3-66), Kinetics Limited Rate Pre-exponential Factor (C2 in Equation 19.3-67), and Kinetics Limited Rate Activation Energy (E in Equation 19.3-67). Note that the Kinetics/Diffusion Limited Combustion Model panel is a modal panel, which means that you must tend to it immediately before continuing the property definitions. To use the intrinsic model for the surface combustion model, select intrinsic-model in the drop-down list. The Intrinsic Combustion Model panel will appear and you will enter the Mass Diffusion Lim-

19-142

c Fluent Inc. December 3, 2001

19.11 Setting Material Properties for the Discrete Phase

ited Rate Constant (C1 in Equation 19.3-66), Kinetics Limited Rate Pre-exponential Factor (Ai in Equation 19.3-76), Kinetics Limited Rate Activation Energy (Ei in Equation 19.3-76), Char Porosity (θ in Equation 19.3-73), Mean Pore Radius (r p in Equation 19.3-75), Specific Internal Surface Area (Ag in Equations 19.3-70 and 19.3-72), Tortuosity (τ in Equation 19.3-73), and Burning Mode, alpha (α in Equation 19.3-77). Note that the Intrinsic Combustion Model panel is a modal panel, which means that you must tend to it immediately before continuing the property definitions. To use the multiple surface reactions model, select multiple-surfacereactions in the drop-down list. FLUENT will display a dialog box informing you that you will need to open the Reactions panel, where you can review or modify the particle surface reactions that you specified as described in Section 13.1.2.

!

If you have not yet defined any particle surface reactions, you must be sure to define them now. See Section 13.3.3 for more information about using the multiple surface reactions model. You will notice that the Burnout Stoichiometric Ratio and Heat of Reaction for Burnout are no longer available in the Materials panel, as these parameters are now computed from the particle surface reactions you defined in the Reactions panel. Note that the multiple surface reactions model is available only if the Particle Surface option for Reactions is enabled in the Species Model panel. See Section 13.3.2 for details. When the effect of particles on radiation is enabled (for the P-1 or discrete ordinates radiation model only) in the Discrete Phase Model panel, you will need to define the following additional parameters: Particle Emissivity is the emissivity of particles in your model, p , used to compute radiation heat transfer to the particles (Equations 19.3-3, 19.3-17, 19.3-23, 19.3-58, and 19.3-78) when the P-1 or discrete ordinates radiation model is active. Note that you must enable radiation to particles, using the Particle Radiation Interaction option

c Fluent Inc. December 3, 2001

19-143

Discrete Phase Models

in the Discrete Phase Model panel. Recommended values of particle emissivity are 1.0 for coal particles and 0.5 for ash [143]. Particle Scattering Factor is the scattering factor, fp , due to particles in the P-1 or discrete ordinates radiation model (Equation 11.3-20). Note that you must enable particle effects in the radiation model, using the Particle Radiation Interaction option in the Discrete Phase Model panel. The recommended value of fp for coal combustion modeling is 0.9 [143]. Note that if the effect of particles on radiation is enabled, scattering in the continuous phase will be ignored in the radiation model. When an atomizer injection model and/or the spray breakup or collision model is enabled in the Set Injection Properties panel (atomizers) and/or Discrete Phase Model panel (spray breakup/collision), you will need to define the following additional parameters: Viscosity is the droplet viscosity, µl . The viscosity may be defined as a function of temperature by selecting one of the function types from the drop-down list to the right of Viscosity. See Section 7.1.3 for details about temperature-dependent properties. You also have the option of implementing a user-defined function to model the droplet viscosity. See the separate UDF Manual for information about user-defined functions. Droplet Surface Tension is the droplet surface tension, σ. The surface tension may be defined as a function of temperature by selecting one of the function types from the drop-down list to the right of Droplet Surface Tension. See Section 7.1.3 for details about temperature-dependent properties. You also have the option of implementing a user-defined function to model the droplet surface tension. See the separate UDF Manual for information about userdefined functions.

19-144

c Fluent Inc. December 3, 2001

19.12 Calculation Procedures for the Discrete Phase

19.12

Calculation Procedures for the Discrete Phase

Solution of the discrete phase implies integration in time of the force balance on the particle (Equation 19.2-1) to yield the particle trajectory. As the particle is moved along its trajectory, heat and mass transfer between the particle and the continuous phase are also computed via the heat/mass transfer laws (Section 19.3). The accuracy of the discrete phase calculation thus depends on the time accuracy of the integration and upon the appropriate coupling between the discrete and continuous phases when required. Numerical controls are described in Section 19.12.1. Coupling and performing trajectory calculations are described in Section 19.12.2. Sections 19.12.3 and 19.12.4 provide information about resetting interphase exchange terms and using the parallel solver for a discrete phase calculation. 19.12.1

Parameters Controlling the Numerical Integration

You will use two parameters to control the time integration of the particle trajectory equations: • the length scale or step length factor, used to set the time step for integration within each control volume • the maximum number of time steps, used to abort trajectory calculations when the particle never exits the flow domain Each of these parameters is set in the Discrete Phase Model panel (Figure 19.12.1) under Tracking Parameters. Define −→ Models −→Discrete Phase... Max. Number Of Steps is the maximum number of time steps used to compute a single particle trajectory via integration of Equations 19.2-1 and 19.2-21. When the maximum number of steps is exceeded, FLUENT abandons the trajectory calculation for the current particle injection and reports the trajectory fate as “incomplete”. The limit on the number of integration time steps eliminates the possibility of a particle being caught in a recirculating

c Fluent Inc. December 3, 2001

19-145

Discrete Phase Models

Figure 19.12.1: The Discrete Phase Model Panel

19-146

c Fluent Inc. December 3, 2001

19.12 Calculation Procedures for the Discrete Phase

region of the continuous phase flow field and being tracked infinitely. Note that you may easily create problems in which the default value of 500 time steps is insufficient for completion of the trajectory calculation. In this case, when trajectories are reported as incomplete within the domain and the particles are not recirculating indefinitely, you can increase the maximum number of steps (up to a limit of 109 ). Length Scale controls the integration time step size used to integrate the equations of motion for the particle. The integration time step is computed by FLUENT based on a specified length scale L, and the velocity of the particle (up ) and of the continuous phase (uc ): ∆t =

L up + u c

(19.12-1)

where L is the Length Scale that you define. As defined by Equation 19.12-1, L is proportional to the integration time step and is equivalent to the distance that the particle will travel before its motion equations are solved again and its trajectory is updated. A smaller value for the Length Scale increases the accuracy of the trajectory and heat/mass transfer calculations for the discrete phase. (Note that particle positions are always computed when particles enter/leave a cell; even if you specify a very large length scale, the time step used for integration will be such that the cell is traversed in one step.) Length Scale will appear in the Discrete Phase Model panel when the Specify Length Scale option is on (the default setting). Step Length Factor also controls the time step size used to integrate the equations of motion for the particle. It differs from the Length Scale in that it allows FLUENT to compute the time step in terms of the number of time steps required for a particle to traverse a computational cell. To set this parameter instead of the Length Scale, turn off the Specify Length Scale option. The integration time step is computed by FLUENT based on a characteristic time that is related to an estimate of the time required

c Fluent Inc. December 3, 2001

19-147

Discrete Phase Models

for the particle to traverse the current continuous phase control volume. If this estimated transit time is defined as ∆t∗ , FLUENT chooses a time step ∆t as ∆t =

∆t∗ λ

(19.12-2)

where λ is the Step Length Factor. As defined by Equation 19.12-2, λ is inversely proportional to the integration time step and is roughly equivalent to the number of time steps required to traverse the current continuous phase control volume. A larger value for the Step Length Factor decreases the discrete phase integration time step. The default value for the Step Length Factor is 20. One simple rule of thumb to follow when setting the parameters above is that if you want the particles to advance through a domain of length D, the Length Scale times the Max. Number Of Steps should be approximately equal to D. 19.12.2

Performing Trajectory Calculations

The trajectories of your discrete phase injections are computed when you display the trajectories using graphics or when you perform solution iterations. That is, you can display trajectories without impacting the continuous phase, or you can include their effect on the continuum (termed a coupled calculation). In turbulent flows, trajectories can be based on mean (time-averaged) continuous phase velocities or they can be impacted by instantaneous velocity fluctuations in the fluid. This section describes the procedures and commands you use to perform coupled or uncoupled trajectory calculations, with or without stochastic tracking or cloud tracking. Uncoupled Calculations For the uncoupled calculation, you will perform the following two steps: 1. Solve the continuous phase flow field.

19-148

c Fluent Inc. December 3, 2001

19.12 Calculation Procedures for the Discrete Phase

2. Plot (and report) the particle trajectories for discrete phase injections of interest. In the uncoupled approach, this two-step procedure completes the modeling effort, as illustrated in Figure 19.12.2. The particle trajectories are computed as they are displayed, based on a fixed continuous-phase flow field. Graphical and reporting options are detailed in Section 19.13.

continuous phase flow field calculation particle trajectory calculation Figure 19.12.2: Uncoupled Discrete Phase Calculations

This procedure is adequate when the discrete phase is present at a low mass and momentum loading, in which case the continuous phase is not impacted by the presence of the discrete phase. Coupled Calculations In a coupled two-phase simulation, FLUENT modifies the two-step procedure above as follows: 1. Solve the continuous phase flow field (prior to introduction of the discrete phase). 2. Introduce the discrete phase by calculating the particle trajectories for each discrete phase injection. 3. Recalculate the continuous phase flow, using the interphase exchange of momentum, heat, and mass determined during the previous particle calculation. 4. Recalculate the discrete phase trajectories in the modified continuous phase flow field.

c Fluent Inc. December 3, 2001

19-149

Discrete Phase Models

5. Repeat the previous two steps until a converged solution is achieved in which both the continuous phase flow field and the discrete phase particle trajectories are unchanged with each additional calculation. This coupled calculation procedure is illustrated in Figure 19.12.3. When your FLUENT model includes a high mass and/or momentum loading in the discrete phase, the coupled procedure must be followed in order to include the important impact of the discrete phase on the continuous phase flow field.

continuous phase flow field calculation

particle trajectory calculation

update continuous phase source terms

Figure 19.12.3: Coupled Discrete Phase Calculations

! When you perform coupled calculations, all defined discrete phase injections will be computed. You cannot calculate a subset of the injections you have defined. Procedures for a Coupled Two-Phase Flow If your FLUENT model includes prediction of a coupled two-phase flow, you should begin with a partially (or fully) converged continuous phase

19-150

c Fluent Inc. December 3, 2001

19.12 Calculation Procedures for the Discrete Phase

flow field. You will then create your injection(s) and set up the coupled calculation. For each discrete-phase iteration, FLUENT computes the particle/droplet trajectories and updates the interphase exchange of momentum, heat, and mass in each control volume. These interphase exchange terms then impact the continuous phase when the continuous phase iteration is performed. During the coupled calculation, FLUENT will perform the discrete phase iteration at specified intervals during the continuous-phase calculation. The coupled calculation continues until the continuous phase flow field no longer changes with further calculations (i.e., all convergence criteria are satisfied). When convergence is reached, the discrete phase trajectories no longer change either, since changes in the discrete phase trajectories would result in changes in the continuous phase flow field. The steps for setting up the coupled calculation are as follows: 1. Solve the continuous phase flow field. 2. In the Discrete Phase Model panel (Figure 19.12.1), enable the Interaction with Continuous Phase option. 3. Set the frequency with which the particle trajectory calculations are introduced in the Number Of Continuous Phase Iterations Per DPM Iteration field. If you set this parameter to 5, for example, a discrete phase iteration will be performed every fifth continuous phase iteration. The optimum number of iterations between trajectory calculations depends upon the physics of your FLUENT model.

!

Note that if you set this parameter to 0, FLUENT will not perform any discrete phase iterations. During the coupled calculation (which you initiate using the Iterate panel in the usual manner) you will see the following information in the FLUENT console as the continuous and discrete phase iterations are performed:

c Fluent Inc. December 3, 2001

19-151

Discrete Phase Models

iter continuity x-velocity y-velocity k epsilon energy time/ite 314 2.5249e-01 2.8657e-01 1.0533e+00 7.6227e-02 2.9771e-02 9.8181e-03 0:00:05 315 2.7955e-01 2.5867e-01 9.2736e-01 6.4516e-02 2.6545e-02 4.2314e-03 0:00:03 DPM Iteration .... number tracked= 9, number escaped= 1, Done. 316 1.9206e-01 1.1860e-01 6.9573e-01 317 2.0729e-01 3.2982e-02 8.3036e-01 318 3.2820e-01 5.5508e-02 6.0900e-01

aborted= 0, trapped= 0, evaporated = 8, i 5.2692e-02 2.3997e-02 2.4532e-03 4.1649e-02 2.2111e-02 2.5369e-01 5.9018e-02 2.6619e-02 4.0394e-02

0:00:02 0:00:01 0:00:00

Note that you can perform a discrete phase calculation at any time by using the solve/dpm-update text command. Stochastic Tracking in Coupled Calculations If you include the stochastic prediction of turbulent dispersion in the coupled two-phase flow calculations, the number of stochastic tries applied each time the discrete phase trajectories are introduced during coupled calculations will be equal to the Number of Tries specified in the Set Injection Properties panel. Input of this parameter is described in Section 19.9.15. Note that the number of tries should be set to 0 if you want to perform the coupled calculation based on the mean continuous phase flow field. An input of n ≥ 1 requests n stochastic trajectory calculations for each particle in the injection. Note that when the number of stochastic tracks included is small, you may find that the ensemble average of the trajectories is quite different each time the trajectories are computed. These differences may, in turn, impact the convergence of your coupled solution. For this reason, you should include an adequate number of stochastic tracks in order to avoid convergence troubles in coupled calculations. Under-Relaxation of the Interphase Exchange Terms When you are coupling the discrete and continuous phases for steadystate calculations, using the calculation procedures noted above, FLUENT applies under-relaxation to the momentum, heat, and mass transfer terms. This under-relaxation serves to increase the stability of the

19-152

c Fluent Inc. December 3, 2001

19.12 Calculation Procedures for the Discrete Phase

coupled calculation procedure by letting the impact of the discrete phase change only gradually: Enew = Eold + α(Ecalculated − Eold )

(19.12-3)

where Enew is the exchange term, Eold is the previous value, Ecalculated is the newly computed value, and α is the particle/droplet under-relaxation factor. FLUENT uses a default value of 0.5 for α. You can modify α by changing the value in the Discrete Phase Sources field under UnderRelaxation Factors in the Solution Controls panel. You may need to decrease α in order to improve the stability of coupled discrete phase calculations. 19.12.3

Resetting the Interphase Exchange Terms

If you have performed coupled calculations, resulting in non-zero interphase sources/sinks of momentum, heat, and/or mass that you do not want to include in subsequent calculations, you can reset these sources to zero. Solve −→ Initialize −→Reset DPM Sources When you select the Reset DPM Sources menu item, the sources will immediately be reset to zero without any further confirmation from you. 19.12.4

Parallel Processing for the Discrete Phase Model

If you are running FLUENT on a shared-memory multiprocessor machine (see the Release Notes for platform limitations), you will need to specify explicitly that you want to perform the discrete phase calculation in parallel. In the Discrete Phase Model panel, turn on the Workpile Algorithm option under Parallel and specify the Number of Threads. By default, the Number of Threads is equal to the number of compute nodes you specified for the parallel solver. You can modify this value based on the computational requirements of the particle calculations. If, for example, the particle calculations require more computation than the flow calculation, you can increase the Number of Threads (up to the number of available processors) to improve performance.

c Fluent Inc. December 3, 2001

19-153

Discrete Phase Models

Note that the discrete phase model is also available when solving in parallel on a distributed memory machine or compute cluster. However, as when running on a shared-memory machine, the particle calculations will take place entirely within the Host process. Therefore, you will need to make sure that there is enough memory to store the entire grid on the machine executing the Host process. In such a situation, the number of threads should not exceed the number of CPUs on the host machine.

19.13

Postprocessing for the Discrete Phase

After you have completed your discrete phase inputs and any coupled two-phase calculations of interest, you can display and store the particle trajectory predictions. FLUENT provides both graphical and alphanumeric reporting facilities for the discrete phase, including the following: • Graphical display of the particle trajectories • Summary reports of trajectory fates • Step-by-step reports of the particle position, velocity, temperature, and diameter • Alphanumeric reports and graphical display of the interphase exchange of momentum, heat, and mass • Sampling of trajectories at boundaries and lines/planes • Histograms of trajectory data at sample planes • Display of erosion/accretion rates This section provides detailed descriptions of each of these postprocessing options. (Note that plotting or reporting trajectories does not change the source terms.)

19-154

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

19.13.1

Graphical Display of Trajectories

When you have defined discrete phase particle injections, as described in Section 19.9, you can display the trajectories of these discrete particles using the Particle Tracks panel (Figure 19.13.1). Display −→Particle Tracks...

Figure 19.13.1: The Particle Tracks Panel

The procedure for drawing trajectories for particle injections is as follows: 1. Select the particle injection(s) you wish to track in the Release From Injections list. (You can choose to track a specific particle, instead, as described below.)

c Fluent Inc. December 3, 2001

19-155

Discrete Phase Models

2. Set the length scale and the maximum number of steps in the Discrete Phase Model panel, as described in Section 19.12.1. Define −→ Models −→Discrete Phase... If stochastic and/or cloud tracking is desired, set the related parameters in the Set Injection Properties panel, as described in Section 19.9.15. 3. Set any of the display options described below. 4. Click on the Display button to draw the trajectories or click on the Pulse button to animate the particle positions. The Pulse button will become the Stop ! button during the animation, and you must click on Stop ! to stop the pulsing.

!

For unsteady particle tracking simulations, clicking on Display will show only the current location of the particles. Typically, you should select point in the Style drop-down list when displaying transient particle locations since individual positions will be displayed. The Pulse button option is not available for unsteady tracking.

Specifying Individual Particles for Display It is also possible to display the trajectory for an individual particle stream instead of for all the streams in a given injection. To do so, you will first need to determine which particle is of interest. Use the Injections panel to list the particle streams in the desired injection, as described in Section 19.9.4. Define −→Injections... Note the ID numbers listed in the first column of the listing printed in the FLUENT console. Then perform the following steps after step 1 above: 1. Enable the Track Single Particle Stream option in the Particle Tracks panel. 2. In the Stream ID field, specify the ID number of the particle stream for which you want to plot the trajectory.

19-156

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

Options for Particle Trajectory Plots The options mentioned above include the following: You can include the grid in the trajectory display, control the style of the trajectories (including the twisting of ribbon-style trajectories), and color them by different scalar fields and control the color scale. You can also choose node or cell values for display. If you are “pulsing” the trajectories, you can control the pulse mode. Finally, you can generate an XY plot of the particle trajectory data (e.g., residence time) as a function of time or path length and save this XY plot data to a file. These options are controlled in exactly the same way that pathlineplotting options are controlled. See Section 25.1.4 for details about setting the trajectory plotting options mentioned above. Note that in addition to coloring the trajectories by continuous phase variables, you can also color them according to the following discrete phase variables: particle time, particle velocity, particle diameter, particle density, particle mass, particle temperature, particle law number, particle time step, and particle Reynolds number. These variables are included in the Particle Variables... category of the Color By list. To display the minimum and maximum values in the domain, click the Update Min/Max button. Graphical Display in Axisymmetric Geometries For axisymmetric problems in which the particle has a non-zero circumferential velocity component, the trajectory of an individual particle is often a spiral about the centerline of rotation. FLUENT displays the r and x components of the trajectory (but not the θ component) projected in the axisymmetric plane. 19.13.2

Reporting of Trajectory Fates

When you perform trajectory calculations by displaying the trajectories (as described in Section 19.13.1), FLUENT will provide information about the trajectories as they are completed. By default, the number of trajectories with each possible fate (escaped, aborted, evaporated, etc.) is reported:

c Fluent Inc. December 3, 2001

19-157

Discrete Phase Models

DPM Iteration .... number tracked = 7, escaped = 4, aborted = 0, trapped = 0, evaporated = 3, inco Done.

You can also track particles through the domain without displaying the trajectories by clicking on the Track button at the bottom of the panel. This allows the listing of reports without also displaying the tracks. Trajectory Fates The possible fates for a particle trajectory are as follows: • “Escaped” trajectories are those that terminate at a flow boundary for which the “escape” condition is set. • “Incomplete” trajectories are those that were terminated when the maximum allowed number of time steps—as defined by the Max. Number Of Steps input in the Discrete Phase Model panel (see Section 19.12.1)—was exceeded. • “Trapped” trajectories are those that terminate at a flow boundary where the “trap” condition has been set. • “Evaporated” trajectories include those trajectories along which the particles were evaporated within the domain. • “Aborted” trajectories are those that fail to complete due to roundoff reasons. You may want to retry the calculation with a modified length scale and/or different initial conditions. Summary Reports You can request additional detail about the trajectory fates as the particles exit the domain, including the mass flow rates through each boundary zone, mass flow rate of evaporated droplets, and composition of the particles. 1. Follow steps 1 and 2 in Section 19.13.1 for displaying trajectories.

19-158

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

2. Select Summary as the Report Type and click Display or Track. A detailed report similar to the following example will appear in the console window. (You may also choose to write this report to a file by selecting File as the Report to option, clicking on the Write... button (which was originally the Display button), and specifying a file name for the summary report file in the resulting Select File dialog box.)

DPM Iteration .... number tracked = 10, escaped = 8, aborted = 0, trapped = 0, evaporated = 0, inc Fate

Number

---Incomplete Escaped - Zone 7

-----2 8

Elapsed Time (s) Min Max Avg Std Dev ---------- ---------- ---------- ---------- --1.485e+01 2.410e+01 1.947e+01 4.623e+00 4.940e+00 2.196e+01 1.226e+01 4.871e+00

(*)- Mass Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7

Mass Flow (kg/s) Initial Final Change ---------- ---------- ---------1.388e-03 1.943e-04 -1.194e-03 1.502e-03 2.481e-04 -1.254e-03 (*)- Energy Transfer Summary -(*)

Fate ---Incomplete Escaped - Zone 7

Heat Content (W) Initial Final Change ---------- ---------- ---------4.051e+02 3.088e+02 -9.630e+01 4.383e+02 3.914e+02 -4.696e+01 (*)- Combusting Particles -(*)

Fate ---Incomplete Escaped - Zone 7

Volatile Content (kg/s) Initial Final %Conv ---------- ---------- ------6.247e-04 0.000e+00 100.00 6.758e-04 0.000e+00 100.00

Char Content (kg/s) Initial Final ---------- ---------- -5.691e-04 0.000e+00 1 6.158e-04 3.782e-05

Done.

The report groups together particles with each possible fate, and reports the number of particles, the time elapsed during trajectories, and

c Fluent Inc. December 3, 2001

19-159

Discrete Phase Models

the mass and energy transfer. This information can be very useful for obtaining information such as where particles are escaping from the domain, where particles are colliding with surfaces, and the extent of heat and mass transfer to/from the particles within the domain. Additional information is reported for combusting particles. Elapsed Time The number of particles with each fate is listed under the Number heading. (Particles that escape through different zones or are trapped at different zones are considered to have different fates, and are therefore listed separately.) The minimum, maximum, and average time elapsed during the trajectories of these particles, as well as the standard deviation about the average time, are listed in the Min, Max, Avg, and Std Dev columns. This information indicates how much time the particle(s) spent in the domain before they escaped, aborted, evaporated, or were trapped.

Fate

Number

---Incomplete Escaped - Zone 7

-----2 8

Elapsed Time (s) Min Max Avg Std Dev ---------- ---------- ---------- ---------- --1.485e+01 2.410e+01 1.947e+01 4.623e+00 4.940e+00 2.196e+01 1.226e+01 4.871e+00

Also, on the right side of the report are listed the injection name and index of the trajectories with the minimum and maximum elapsed times. (You may need to use the scroll bar to view this information.)

Elapsed Time (s) Injection, Index Min Max Avg Std Dev Min Max --- ---------- ---------- ---------- -------------------- -------------------+01 2.410e+01 1.947e+01 4.623e+00 injection-0 1 injection-0 0 +00 2.196e+01 1.226e+01 4.871e+00 injection-0 9 injection-0 2

Mass Transfer Summary For all droplet or combusting particles with each fate, the total initial and final mass flow rates and the change in mass flow rate are reported

19-160

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

in the Initial, Final, and Change columns. With this information, you can determine how much mass was transferred to the continuous phase from the particles. (*)- Mass Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7

Mass Flow (kg/s) Initial Final Change ---------- ---------- ---------1.388e-03 1.943e-04 -1.194e-03 1.502e-03 2.481e-04 -1.254e-03

Energy Transfer Summary For all particles with each fate, the total initial and final heat content and the change in heat content are reported in the Initial, Final, and Change columns. This report tells you how much heat was transferred from the continuous phase to the particles. (*)- Energy Transfer Summary -(*) Fate ---Incomplete Escaped - Zone 7

Heat Content (W) Initial Final Change ---------- ---------- ---------4.051e+02 3.088e+02 -9.630e+01 4.383e+02 3.914e+02 -4.696e+01

Combusting Particles If combusting particles are present, FLUENT will include additional reporting on the volatiles and char converted. These reports are intended to help you identify the composition of the combusting particles as they exit the computational domain. (*)- Combusting Particles -(*) Fate ---Incomplete Escaped - Zone 7

Volatile Content (kg/s) Initial Final %Conv ---------- ---------- ------6.247e-04 0.000e+00 100.00 6.758e-04 0.000e+00 100.00

c Fluent Inc. December 3, 2001

Char Content (kg/s) Initial Final %Conv ---------- ---------- ------5.691e-04 0.000e+00 100.00 6.158e-04 3.782e-05 93.86

19-161

Discrete Phase Models

The total volatile content at the start and end of the trajectory is reported in the Initial and Final columns under Volatile Content. The percentage of volatiles that has been devolatilized is reported in the %Conv column. The total reactive portion (char) at the start and end of the trajectory is reported in the Initial and Final columns under Char Content. The percentage of char that reacted is reported in the %Conv column. 19.13.3

Step-by-Step Reporting of Trajectories

At times, you may want to obtain a detailed, step-by-step report of the particle trajectory/trajectories. Such reports can be obtained in alphanumeric format. This capability allows you to monitor the particle position, velocity, temperature, or diameter as the trajectory proceeds. The procedure for generating files containing step-by-step reports is listed below: 1. Follow steps 1 and 2 in Section 19.13.1 for displaying trajectories. You may want to track only one particle at a time, using the Track Single Particle Stream option. 2. Select Step By Step as the Report Type. 3. Select File as the Report to option. (The Display button will become the Write... button.) 4. In the Significant Figures field, enter the number of significant figures to be used in the step-by-step report. 5. Click on the Write... button and specify a file name for the stepby-step report file in the resulting Select File dialog box. A detailed report similar to the following example will be saved to the specified file before the trajectories are plotted. (You may also choose to print the report in the console by choosing Console as the Report to option and clicking on Display or Track, but the report is so long that it is unlikely to be of use to you in that form.)

19-162

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

The step-by-step report lists the particle position and velocity of the particle at selected time steps along the trajectory: Time 0.000e+00 3.773e-05 5.403e-05 9.181e-05 1.296e-04 1.608e-04 . . .

X-Position 1.411e-03 2.411e-03 2.822e-03 3.822e-03 4.821e-03 5.644e-03 . . .

Y-Position 3.200e-03 3.200e-03 3.192e-03 3.192e-03 3.192e-03 3.192e-03 . . .

Z-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

X-Velocity 2.650e+01 2.648e+01 2.647e+01 2.644e+01 2.642e+01 2.639e+01 . . .

Y-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

Z-Veloc 0.000e 0.000e 0.000e 0.000e 0.000e 0.000e . . .

Also listed are the diameter, temperature, density, and mass of the particle. (You may need to use the scroll bar to view this information.) elocity 650e+01 648e+01 647e+01 644e+01 642e+01 639e+01 . . .

19.13.4

Y-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

Z-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

Diameter Temperature 2.000e-04 3.000e+02 2.000e-04 3.006e+02 2.000e-04 3.009e+02 2.000e-04 3.015e+02 2.000e-04 3.022e+02 2.000e-04 3.027e+02 . . . . . .

Density 1.300e+03 1.300e+03 1.300e+03 1.300e+03 1.300e+03 1.300e+03 . . .

Mass 5.445e-09 5.445e-09 5.445e-09 5.445e-09 5.445e-09 5.445e-09 . . .

Reporting Current Positions for Unsteady Tracking

When using unsteady tracking, you may want to obtain a report of the particle trajectory/trajectories showing the current positions of the particles. Selecting Current Positions under Report Type in the ParticleTracks panel enables the display of the current positions of the particles. The procedure for generating files containing current position reports is listed below: 1. Follow steps 1 and 2 in Section 19.13.1 for displaying trajectories. You may want to track only one particle stream at a time, using the Track Single Particle Stream option.

c Fluent Inc. December 3, 2001

19-163

Discrete Phase Models

2. Select Current Position as the Report Type. 3. Select File as the Report to option. (The Display button will become the Write... button.) 4. In the Significant Figures field, enter the number of significant figures to be used in the step-by-step report. 5. Click on the Write... button and specify a file name for the current position report file in the resulting Select File dialog box. The current position report lists the positions and velocities of all particles that are currently in the domain: Time 0.000e+00 1.672e-05 3.342e-05 5.010e-05 6.675e-05 8.338e-05 . . .

X-Position 1.000e-03 1.168e-03 1.337e-03 1.508e-03 1.680e-03 1.854e-03 . . .

Y-Position 3.120e-02 3.128e-02 3.137e-02 3.145e-02 3.153e-02 3.161e-02 . . .

Z-Position 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

X-Velocity 1.000e+01 1.010e+01 1.019e+01 1.028e+01 1.038e+01 1.047e+01 . . .

Y-Velocity 5.000e+00 4.988e+00 4.977e+00 4.965e+00 4.954e+00 4.942e+00 . . .

Z-Veloc 0.000e 0.000e 0.000e 0.000e 0.000e 0.000e . . .

Also listed are the diameter, temperature, density, and mass of the particles. (You may need to use the scroll bar to view this information.)

elocity 000e+01 010e+01 019e+01 028e+01 038e+01 047e+01 . . .

19-164

Y-Velocity 5.000e+00 4.988e+00 4.977e+00 4.965e+00 4.954e+00 4.942e+00 . . .

Z-Velocity 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 0.000e+00 . . .

Diameter Temperature 7.000e-05 3.000e+02 7.000e-05 3.009e+02 7.000e-05 3.019e+02 7.000e-05 3.028e+02 7.000e-05 3.037e+02 7.000e-05 3.046e+02 . . . . . .

Density Mass 1.300e+03 2.335e-10 1.300e+03 2.335e-10 1.300e+03 2.335e-10 1.300e+03 2.335e-10 1.300e+03 2.335e-10 1.300e+03 2.335e-10 . . . . . .

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

19.13.5

Reporting of Interphase Exchange Terms and Discrete Phase Concentration

FLUENT reports the magnitudes of the interphase exchange of momentum, heat, and mass in each control volume in your FLUENT model. It can also report the total concentration of the discrete phase. You can display these variables graphically, by drawing contours, profiles, etc. They are all contained in the Discrete Phase Model... category of the variable selection drop-down list that appears in postprocessing panels: • DPM Concentration • DPM Mass Source • DPM X,Y,Z Momentum Source • DPM Swirl Momentum Source • DPM Sensible Enthalpy Source • DPM Enthalpy Source • DPM Absorption Coefficient • DPM Emission • DPM Scattering • DPM Burnout • DPM Evaporation/Devolatilization • DPM (species) Source • DPM Erosion • DPM Accretion See Chapter 27 for definitions of these variables. Note that these exchange terms are updated and displayed only when coupled calculations are performed. Displaying and reporting particle trajectories (as described in Sections 19.13.1 and 19.13.2) will not affect the values of these exchange terms.

c Fluent Inc. December 3, 2001

19-165

Discrete Phase Models

19.13.6

Trajectory Sampling

Particle states (position, velocity, diameter, temperature, and mass flow rate) can be written to files at various boundaries and planes (lines in 2D) using the Sample Trajectories panel (Figure 19.13.2). Report −→ Discrete Phase −→Sample...

Figure 19.13.2: The Sample Trajectories Panel The procedure for generating files containing the particle samples is listed below: 1. Select the injections to be tracked in the Release From Injections list. 2. Select the surfaces at which samples will be written. These can be

19-166

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

boundaries from the Boundaries list or planes from the Planes list (in 3D) or lines from the Lines list (in 2D). 3. Click on the Compute button. Note that for unsteady particle tracking, the Compute button will become the Start button (to initiate sampling) or a Stop button (to stop sampling). Clicking on the Compute button will cause the particles to be tracked and their status to be written to files when they encounter selected surfaces. The file names will be formed by appending .dpm to the surface name. For unsteady particle tracking, clicking on the Start button will open the files and write the file header sections. If the solution is advanced in time by computing some time steps, the particle trajectories will be updated and the particle states will be written to the files as they cross the selected planes or boundaries. Clicking on the Stop button will close the files and end the sampling. For stochastic tracking, it may be useful to repeat this process multiple times and append the results to the same file, while monitoring the sample statistics at each update. To do this, enable the Append Files option before repeating the calculation (clicking on Compute). Similarly, you can cause erosion and accretion rates to be accumulated for repeated trajectory calculations by turning on the Accumulate Erosion/Accretion Rates option. (See also Section 19.13.8.) The format and the information written for the sample output can also be controlled through a userdefined function, which can be selected in the Output drop-down list. See the separate UDF Manual for information about user-defined functions. 19.13.7

Histogram Reporting of Samples

Histograms can be plotted from sample files created in the Sample Trajectories panel (as described in Section 19.13.6) using the Trajectory Sample Histograms panel (Figure 19.13.3). Report −→ Discrete Phase −→Histogram... The procedure for plotting histograms from data in a sample file is listed below:

c Fluent Inc. December 3, 2001

19-167

Discrete Phase Models

Figure 19.13.3: The Trajectory Sample Histograms Panel

1. Select a file to be read by clicking on the Read... button. After you read in the sample file, the boundary name will appear in the Sample list. 2. Select the data sample in the Sample list, and then select the data to be plotted from the Fields list. 3. Click on the Plot button at the bottom of the panel to display the histogram. By default, the percent of particles will be plotted on the y axis. You can plot the actual number of particles by deselecting Percent under Options. The number of “bins” or intervals in the plot can be set in the Divisions field. You can delete samples from the list with the Delete button and update the Min/Max values with the Compute button.

19-168

c Fluent Inc. December 3, 2001

19.13 Postprocessing for the Discrete Phase

19.13.8

Postprocessing of Erosion/Accretion Rates

You can calculate the erosion and accretion rates in a cumulative manner (over a series of injections) by using the Sample Trajectories panel. First select an injection in the Release From Injections list and compute its trajectory. Then turn on the Accumulate Erosion/Accretion Rates option, select the next injection (after deselecting the first one), and click Compute again. The rates will accumulate at the surfaces each time you click Compute.

! Both the erosion rate and the accretion rate are defined at wall face surfaces only, so they cannot be displayed at node values.

c Fluent Inc. December 3, 2001

19-169

Discrete Phase Models

19-170

c Fluent Inc. December 3, 2001